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

Systemtic Name: diethyl 3-methyl-5-[[4-(phenylmethyl)piperidin-1-yl]carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(4-benzylpiperidine-1-carbothioyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-(phenylmethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-benzylpiperidine-1-carbothioyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-benzylpiperidine-1-carbothioyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H30N2O4S2 MolecularWeight: 474.636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O4S2/c1-4-29-22(27)19-16(3)20(23(28)30-5-2)32-21(19)25-24(31)26-13-11-18(12-14-26)15-17-9-7-6-8-10-17/h6-10,18H,4-5,11-15H2,1-3H3,(H,25,31)