methyl 4-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[2-[4-(diphenylmethyl)piperazin-1-yl]carbonylphenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C34H32N4O4S MolecularWeight: 592.70728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H32N4O4S/c1-42-33(41)27-18-16-26(17-19-27)31(39)36-34(43)35-29-15-9-8-14-28(29)32(40)38-22-20-37(21-23-38)30(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-19,30H,20-23H2,1H3,(H2,35,36,39,43)