N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[3-(2-oxoazepan-1-yl)propyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[3-(2-oxo-1-azepanyl)propyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[3-(2-oxoazepan-1-yl)propyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-2-(phenylthio)nicotinamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c25-19-12-5-2-6-15-24(19)16-8-14-22-20(26)18-11-7-13-23-21(18)27-17-9-3-1-4-10-17/h1,3-4,7,9-11,13H,2,5-6,8,12,14-16H2,(H,22,26)