methyl 3-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[2-[(4-phenylazanylphenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[2-[(4-anilinoanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-anilinophenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[2-[(4-anilinophenyl)carbamoyl]phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C29H24N4O4S MolecularWeight: 524.59026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)NC4=CC=CC=C4

InChI

InChI=1S/C29H24N4O4S/c1-37-28(36)20-9-7-8-19(18-20)26(34)33-29(38)32-25-13-6-5-12-24(25)27(35)31-23-16-14-22(15-17-23)30-21-10-3-2-4-11-21/h2-18,30H,1H3,(H,31,35)(H2,32,33,34,38)