diethyl 2-[(4-methylpiperazin-1-yl)carbothioylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

Systemtic Name: diethyl 2-[(4-methylpiperazin-1-yl)carbothioylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: diethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(4-methylpiperazine-1-carbothioyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-[(4-methylpiperazine-1-carbothioyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester Formula: C19H28N4O4S2 MolecularWeight: 440.58002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=S)N3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=S)N3CCN(CC3)C

InChI

InChI=1S/C19H28N4O4S2/c1-4-26-17(24)15-13-6-7-23(19(25)27-5-2)12-14(13)29-16(15)20-18(28)22-10-8-21(3)9-11-22/h4-12H2,1-3H3,(H,20,28)