2-(1,4-diazepan-1-yl)-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide

Systemtic Name: 2-(1,4-diazepan-1-yl)-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide Openeye Name: 2-(1,4-diazepan-1-yl)-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide CAS Name: 2-(1,4-diazepan-1-yl)-N-[3-(methylthio)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-(1,4-diazepan-1-yl)-N-(3-methylsulfanylphenyl)pyridine-3-carboxamide Traditional Name: 2-(1,4-diazepan-1-yl)-N-[3-(methylthio)phenyl]nicotinamide Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=C(N=CC=C2)N3CCCNCC3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=C(N=CC=C2)N3CCCNCC3

InChI

InChI=1S/C18H22N4OS/c1-24-15-6-2-5-14(13-15)21-18(23)16-7-3-9-20-17(16)22-11-4-8-19-10-12-22/h2-3,5-7,9,13,19H,4,8,10-12H2,1H3,(H,21,23)