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

Systemtic Name: diethyl 3-methyl-5-[(4-methylpiperazin-1-yl)carbothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-methylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-methylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(4-methylpiperazine-1-carbothioyl)amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4S2/c1-5-23-15(21)12-11(3)13(16(22)24-6-2)26-14(12)18-17(25)20-9-7-19(4)8-10-20/h5-10H2,1-4H3,(H,18,25)