N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C22H27N3O3S MolecularWeight: 413.53308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C3CCCCC3

Isomeric SMILES

CN(CC1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])C3CCCCC3

InChI

InChI=1S/C22H27N3O3S/c1-24(18-8-3-2-4-9-18)15-17-7-5-6-10-21(17)23-22(26)16-29-20-13-11-19(12-14-20)25(27)28/h5-7,10-14,18H,2-4,8-9,15-16H2,1H3,(H,23,26)