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

Systemtic Name: diethyl 3-methyl-5-[[4-(phenylmethyl)piperazin-1-yl]carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-benzylpiperazine-1-carbothioyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-benzylpiperazine-1-carbothioyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-benzylpiperazine-1-carbothioyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H29N3O4S2 MolecularWeight: 475.62406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4S2/c1-4-29-21(27)18-16(3)19(22(28)30-5-2)32-20(18)24-23(31)26-13-11-25(12-14-26)15-17-9-7-6-8-10-17/h6-10H,4-5,11-15H2,1-3H3,(H,24,31)