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

Systemtic Name: methyl 2-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O2S2 MolecularWeight: 479.65736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H29N3O2S2/c1-18-19(2)33-24(22(18)25(30)31-3)27-26(32)29-16-14-28(15-17-29)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,23H,14-17H2,1-3H3,(H,27,32)