methyl 3-[(4-phenylazanylphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(4-phenylazanylphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(4-anilinophenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(4-anilinoanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-anilinophenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(4-anilinophenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H19N3O3S MolecularWeight: 405.46956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O3S/c1-28-21(27)16-7-5-6-15(14-16)20(26)25-22(29)24-19-12-10-18(11-13-19)23-17-8-3-2-4-9-17/h2-14,23H,1H3,(H2,24,25,26,29)