2-[1-(azepan-1-yl)-1-oxidanylidene-pentan-2-yl]sulfanyl-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-pentan-2-yl]sulfanyl-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[1-(azepane-1-carbonyl)butylsulfanyl]-N-(2-nitrophenyl)acetamide CAS Name: 2-[[1-(1-azepanyl)-1-oxopentan-2-yl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[1-(azepan-1-yl)-1-oxopentan-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide Traditional Name: 2-[1-(azepane-1-carbonyl)butylthio]-N-(2-nitrophenyl)acetamide Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N1CCCCCC1)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCC(C(=O)N1CCCCCC1)SCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O4S/c1-2-9-17(19(24)21-12-7-3-4-8-13-21)27-14-18(23)20-15-10-5-6-11-16(15)22(25)26/h5-6,10-11,17H,2-4,7-9,12-14H2,1H3,(H,20,23)