N-[2-(azepan-1-yl)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-2-(phenylthio)nicotinamide Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C20H25N3OS/c24-19(21-13-16-23-14-6-1-2-7-15-23)18-11-8-12-22-20(18)25-17-9-4-3-5-10-17/h3-5,8-12H,1-2,6-7,13-16H2,(H,21,24)