3,4-dimethoxy-N-[3-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[3-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide Openeye Name: 3,4-dimethoxy-N-[3-[1-[(2-methyl-4-nitro-phenyl)carbamoyl]propylsulfanyl]phenyl]benzamide CAS Name: 3,4-dimethoxy-N-[3-[[1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]thio]phenyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[3-[1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide Traditional Name: 3,4-dimethoxy-N-[3-[1-[(2-methyl-4-nitro-phenyl)carbamoyl]propylthio]phenyl]benzamide Formula: C26H27N3O6S MolecularWeight: 509.57408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C)SC2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C)SC2=CC=CC(=C2)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H27N3O6S/c1-5-24(26(31)28-21-11-10-19(29(32)33)13-16(21)2)36-20-8-6-7-18(15-20)27-25(30)17-9-12-22(34-3)23(14-17)35-4/h6-15,24H,5H2,1-4H3,(H,27,30)(H,28,31)