3-methyl-N-[4-[2-(4-nitrophenyl)sulfanylethanoylamino]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[2-(4-nitrophenyl)sulfanylethanoylamino]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]phenyl]butanamide CAS Name: 3-methyl-N-[4-[[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[[2-(4-nitrophenyl)sulfanylacetyl]amino]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[[2-[(4-nitrophenyl)thio]acetyl]amino]phenyl]butyramide Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-13(2)11-18(23)20-14-3-5-15(6-4-14)21-19(24)12-27-17-9-7-16(8-10-17)22(25)26/h3-10,13H,11-12H2,1-2H3,(H,20,23)(H,21,24)