methyl 2-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C30H29N3O2S2 MolecularWeight: 527.70016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H29N3O2S2/c1-35-29(34)25-21-26(22-11-5-2-6-12-22)37-28(25)31-30(36)33-19-17-32(18-20-33)27(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,21,27H,17-20H2,1H3,(H,31,36)