5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-N-methyl-pyrazine-2-carboxamide

Systemtic Name: 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-N-methyl-pyrazine-2-carboxamide Openeye Name: 5-[3-[4-(benzothiophen-4-yl)piperazin-1-yl]propoxy]-N-methyl-pyrazine-2-carboxamide CAS Name: 5-[3-[4-(1-benzothiophen-4-yl)-1-piperazinyl]propoxy]-N-methyl-2-pyrazinecarboxamide IUPAC Name: 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-N-methylpyrazine-2-carboxamide Traditional Name: 5-[3-[4-(benzothiophen-4-yl)piperazino]propoxy]-N-methyl-pyrazinamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CN=C(C=N1)OCCCN2CCN(CC2)C3=C4C=CSC4=CC=C3

Isomeric SMILES

CNC(=O)C1=CN=C(C=N1)OCCCN2CCN(CC2)C3=C4C=CSC4=CC=C3

InChI

InChI=1S/C21H25N5O2S/c1-22-21(27)17-14-24-20(15-23-17)28-12-3-7-25-8-10-26(11-9-25)18-4-2-5-19-16(18)6-13-29-19/h2,4-6,13-15H,3,7-12H2,1H3,(H,22,27)