N-butyl-6-[4-(2-sulfanylphenyl)carbonylpiperazin-1-yl]pyridine-3-carboxamide

Systemtic Name: N-butyl-6-[4-(2-sulfanylphenyl)carbonylpiperazin-1-yl]pyridine-3-carboxamide Openeye Name: N-butyl-6-[4-(2-sulfanylbenzoyl)piperazin-1-yl]pyridine-3-carboxamide CAS Name: N-butyl-6-[4-[(2-mercaptophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxamide IUPAC Name: N-butyl-6-[4-(2-sulfanylbenzoyl)piperazin-1-yl]pyridine-3-carboxamide Traditional Name: N-butyl-6-[4-(2-mercaptobenzoyl)piperazino]nicotinamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3S

Isomeric SMILES

CCCCNC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3S

InChI

InChI=1S/C21H26N4O2S/c1-2-3-10-22-20(26)16-8-9-19(23-15-16)24-11-13-25(14-12-24)21(27)17-6-4-5-7-18(17)28/h4-9,15,28H,2-3,10-14H2,1H3,(H,22,26)