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

Systemtic Name: diethyl 5-[[4-(diphenylmethyl)piperazin-1-yl]carbothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(diphenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-benzhydrylpiperazine-1-carbothioyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C29H33N3O4S2 MolecularWeight: 551.72002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H33N3O4S2/c1-4-35-27(33)23-20(3)25(28(34)36-5-2)38-26(23)30-29(37)32-18-16-31(17-19-32)24(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,24H,4-5,16-19H2,1-3H3,(H,30,37)