3-(4-methylpiperazin-1-yl)propyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

Systemtic Name: 3-(4-methylpiperazin-1-yl)propyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Openeye Name: 3-(4-methylpiperazin-1-yl)propyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate CAS Name: 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 3-(4-methyl-1-piperazinyl)propyl ester IUPAC Name: 3-(4-methylpiperazin-1-yl)propyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Traditional Name: 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid 3-(4-methylpiperazino)propyl ester Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCOC(=O)N2CCC3=C(C2)SC(=C3C#N)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CCCOC(=O)N2CCC3=C(C2)SC(=C3C#N)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H29N5O3S/c1-27-11-13-28(14-12-27)9-5-15-32-24(31)29-10-8-19-20(16-25)23(33-21(19)17-29)26-22(30)18-6-3-2-4-7-18/h2-4,6-7H,5,8-15,17H2,1H3,(H,26,30)