2-(4-nitrophenyl)sulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]ethanamide

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]ethanamide Openeye Name: 2-(4-nitrophenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]acetamide CAS Name: 2-[(4-nitrophenyl)thio]-N-[3-(2-oxo-1-azepanyl)propyl]acetamide IUPAC Name: 2-(4-nitrophenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]acetamide Traditional Name: N-[3-(2-ketoazepan-1-yl)propyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C17H23N3O4S MolecularWeight: 365.44722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O4S/c21-16(13-25-15-8-6-14(7-9-15)20(23)24)18-10-4-12-19-11-3-1-2-5-17(19)22/h6-9H,1-5,10-13H2,(H,18,21)