2-[1-(azepan-1-yl)-1-oxidanylidene-pentan-2-yl]sulfanyl-N-(4-methyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-pentan-2-yl]sulfanyl-N-(4-methyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[1-(azepane-1-carbonyl)butylsulfanyl]-N-(4-methyl-2-nitro-phenyl)acetamide CAS Name: 2-[[1-(1-azepanyl)-1-oxopentan-2-yl]thio]-N-(4-methyl-2-nitrophenyl)acetamide IUPAC Name: 2-[1-(azepan-1-yl)-1-oxopentan-2-yl]sulfanyl-N-(4-methyl-2-nitrophenyl)acetamide Traditional Name: 2-[1-(azepane-1-carbonyl)butylthio]-N-(4-methyl-2-nitro-phenyl)acetamide Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4S/c1-3-8-18(20(25)22-11-6-4-5-7-12-22)28-14-19(24)21-16-10-9-15(2)13-17(16)23(26)27/h9-10,13,18H,3-8,11-12,14H2,1-2H3,(H,21,24)