2,6-dimethoxy-N-[3-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide

Systemtic Name: 2,6-dimethoxy-N-[3-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide Openeye Name: 2,6-dimethoxy-N-[3-[1-[(2-methyl-4-nitro-phenyl)carbamoyl]propylsulfanyl]phenyl]benzamide CAS Name: 2,6-dimethoxy-N-[3-[[1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]thio]phenyl]benzamide IUPAC Name: 2,6-dimethoxy-N-[3-[1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide Traditional Name: 2,6-dimethoxy-N-[3-[1-[(2-methyl-4-nitro-phenyl)carbamoyl]propylthio]phenyl]benzamide Formula: C26H27N3O6S MolecularWeight: 509.57408

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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=C(C=CC=C3OC)OC

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C)SC2=CC=CC(=C2)NC(=O)C3=C(C=CC=C3OC)OC

InChI

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