methyl 3-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(4-benzhydrylpiperazine-1-carbothioyl)carbamoyl]benzoate CAS Name: 3-[[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-benzhydrylpiperazine-1-carbothioyl)carbamoyl]benzoate Traditional Name: 3-[(4-benzhydrylpiperazine-1-carbothioyl)carbamoyl]benzoic acid methyl ester Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3S/c1-33-26(32)23-14-8-13-22(19-23)25(31)28-27(34)30-17-15-29(16-18-30)24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,19,24H,15-18H2,1H3,(H,28,31,34)