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

Systemtic Name: methyl 4-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(4-benzhydrylpiperazine-1-carbothioyl)carbamoyl]benzoate CAS Name: 4-[[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-benzhydrylpiperazine-1-carbothioyl)carbamoyl]benzoate Traditional Name: 4-[(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=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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