chempirical

N-[(Phenylamino)thioxomethyl]benzamide

C14H12N2OSCAS 4921-82-8256.32 g/mol

Open in Covalent MOL file
ONHSHN
Thiol

Properties

Molecular formula
C14H12N2OS
Molar mass
256.32 g/mol
Exact mass
256.0670 Da
Melting point
113 °C
logP
3.61Crippen estimate
Polar surface area
45.0 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Identifiers

CAS number
4921-82-8
SMILES
OC(=NC(S)=Nc1ccccc1)c1ccccc1
InChIKey
GVHZQIIMGRLFMX-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N2OS/c17-13(11-7-3-1-4-8-11)16-14(18)15-12-9-5-2-6-10-12/h1-10H,(H2,15,16,17,18)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Benzamide, N-[(phenylamino)thioxomethyl]-
  • 1-Benzoyl-3-phenylthiourea
  • N-Benzoyl-N′-phenylthiourea
  • 1-Phenyl-3-benzoylthiocarbamide
  • 1-Benzoyl-3-phenylthiocarbamide
  • N-Phenyl-N′-benzoylthiourea
  • N′-Phenyl-N-benzoylthiourea
  • NSC 5817
  • TM 2-51
  • 1-Benzoyl-3-phenyl-2-thiourea
  • 3-Benzoyl-1-phenylthiourea
  • Urea, 1-benzoyl-3-phenyl-2-thio-

Work with N-[(Phenylamino)thioxomethyl]benzamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzoylthiourea614-23-358 % similar Dibenzoylhydrazine787-84-852 % similar N-Methylbenzamide613-93-447 % similar Benzoylhydrazine613-94-547 % similar Nicotinanilide1752-96-146 % similar N-(3-Aminophenyl)benzamide16091-26-245 % similar N-(Hydroxymethyl)benzamide6282-02-644 % similar N-Benzylbenzamide1485-70-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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