4-[2-[(3-methyl-1-phenyl-butyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(3-methyl-1-phenyl-butyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[(3-methyl-1-phenyl-butyl)amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[(3-methyl-1-phenyl-butyl)amino]ethyl]thio]-3-nitro-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-13(2)10-16(14-6-4-3-5-7-14)22-19(24)12-28-18-9-8-15(20(21)25)11-17(18)23(26)27/h3-9,11,13,16H,10,12H2,1-2H3,(H2,21,25)(H,22,24)