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

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-2-pentylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-2-pentylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-2-(pentylthio)-3-pyridinecarboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-2-pentylsulfanylpyridine-3-carboxamide Traditional Name: 2-(amylthio)-N-[(3S)-2-ketoazepan-3-yl]nicotinamide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=CC=N1)C(=O)NC2CCCCNC2=O

Isomeric SMILES

CCCCCSC1=C(C=CC=N1)C(=O)N[C@H]2CCCCNC2=O

InChI

InChI=1S/C17H25N3O2S/c1-2-3-6-12-23-17-13(8-7-11-19-17)15(21)20-14-9-4-5-10-18-16(14)22/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,18,22)(H,20,21)/t14-/m0/s1