6-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-N-methyl-pyridine-3-carboxamide

Systemtic Name: 6-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-N-methyl-pyridine-3-carboxamide Openeye Name: 6-[3-[4-(benzothiophen-4-yl)piperazin-1-yl]propoxy]-N-methyl-pyridine-3-carboxamide CAS Name: 6-[3-[4-(1-benzothiophen-4-yl)-1-piperazinyl]propoxy]-N-methyl-3-pyridinecarboxamide IUPAC Name: 6-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-N-methylpyridine-3-carboxamide Traditional Name: 6-[3-[4-(benzothiophen-4-yl)piperazino]propoxy]-N-methyl-nicotinamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CN=C(C=C1)OCCCN2CCN(CC2)C3=C4C=CSC4=CC=C3

Isomeric SMILES

CNC(=O)C1=CN=C(C=C1)OCCCN2CCN(CC2)C3=C4C=CSC4=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-23-22(27)17-6-7-21(24-16-17)28-14-3-9-25-10-12-26(13-11-25)19-4-2-5-20-18(19)8-15-29-20/h2,4-8,15-16H,3,9-14H2,1H3,(H,23,27)