N-[2-(azepan-1-yl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-2-(methylthio)nicotinamide Formula: C19H23N3OS MolecularWeight: 341.47042

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2=CC=CC=C2N3CCCCCC3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2=CC=CC=C2N3CCCCCC3

InChI

InChI=1S/C19H23N3OS/c1-24-19-15(9-8-12-20-19)18(23)21-16-10-4-5-11-17(16)22-13-6-2-3-7-14-22/h4-5,8-12H,2-3,6-7,13-14H2,1H3,(H,21,23)