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

Systemtic Name: diethyl 2-[(4-phenylpiperazin-1-yl)carbothioylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Openeye Name: diethyl 2-[(4-phenylpiperazine-1-carbothioyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate CAS Name: 2-[[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(4-phenylpiperazine-1-carbothioyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate Traditional Name: 2-[(4-phenylpiperazine-1-carbothioyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid diethyl ester Formula: C24H30N4O4S2 MolecularWeight: 502.6494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=S)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCN(C2)C(=O)OCC)NC(=S)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H30N4O4S2/c1-3-31-22(29)20-18-10-11-28(24(30)32-4-2)16-19(18)34-21(20)25-23(33)27-14-12-26(13-15-27)17-8-6-5-7-9-17/h5-9H,3-4,10-16H2,1-2H3,(H,25,33)