2-methyl-N-[4-[[2-(4-nitrophenyl)sulfanylpropanoylamino]methyl]phenyl]propanamide

Systemtic Name: 2-methyl-N-[4-[[2-(4-nitrophenyl)sulfanylpropanoylamino]methyl]phenyl]propanamide Openeye Name: 2-methyl-N-[4-[[2-(4-nitrophenyl)sulfanylpropanoylamino]methyl]phenyl]propanamide CAS Name: 2-methyl-N-[4-[[[2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]methyl]phenyl]propanamide IUPAC Name: 2-methyl-N-[4-[[2-(4-nitrophenyl)sulfanylpropanoylamino]methyl]phenyl]propanamide Traditional Name: 2-methyl-N-[4-[[2-[(4-nitrophenyl)thio]propanoylamino]methyl]phenyl]propionamide Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)CNC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-13(2)19(24)22-16-6-4-15(5-7-16)12-21-20(25)14(3)28-18-10-8-17(9-11-18)23(26)27/h4-11,13-14H,12H2,1-3H3,(H,21,25)(H,22,24)