2-(3-methylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-(3-methylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide Openeye Name: 2-(3-methylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide CAS Name: 2-(3-methyl-1-piperazinyl)-N-[3-(methylthio)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-(3-methylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide Traditional Name: 2-(3-methylpiperazino)-N-[3-(methylthio)phenyl]nicotinamide Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=CC=N2)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1CN(CCN1)C2=C(C=CC=N2)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C18H22N4OS/c1-13-12-22(10-9-19-13)17-16(7-4-8-20-17)18(23)21-14-5-3-6-15(11-14)24-2/h3-8,11,13,19H,9-10,12H2,1-2H3,(H,21,23)