N-(3-methylbutyl)-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-ethanamide

Systemtic Name: N-(3-methylbutyl)-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-ethanamide Openeye Name: N-isopentyl-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-acetamide CAS Name: N-(3-methylbutyl)-2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]acetamide IUPAC Name: N-(3-methylbutyl)-2-[(1R)-1-(3-nitrophenyl)ethyl]sulfanylacetamide Traditional Name: N-isoamyl-2-[[(1R)-1-(3-nitrophenyl)ethyl]thio]acetamide Formula: C15H22N2O3S MolecularWeight: 310.41178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC(C)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])SCC(=O)NCCC(C)C

InChI

InChI=1S/C15H22N2O3S/c1-11(2)7-8-16-15(18)10-21-12(3)13-5-4-6-14(9-13)17(19)20/h4-6,9,11-12H,7-8,10H2,1-3H3,(H,16,18)/t12-/m1/s1