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

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-2-(phenylthio)nicotinamide Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c22-16(21-15-10-4-5-11-19-17(15)23)14-9-6-12-20-18(14)24-13-7-2-1-3-8-13/h1-3,6-9,12,15H,4-5,10-11H2,(H,19,23)(H,21,22)/t15-/m0/s1