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

Systemtic Name: 3-methyl-N-[3-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide Openeye Name: 3-methyl-N-[3-[1-[(2-methyl-4-nitro-phenyl)carbamoyl]propylsulfanyl]phenyl]benzamide CAS Name: 3-methyl-N-[3-[[1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]thio]phenyl]benzamide IUPAC Name: 3-methyl-N-[3-[1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide Traditional Name: 3-methyl-N-[3-[1-[(2-methyl-4-nitro-phenyl)carbamoyl]propylthio]phenyl]benzamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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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=CC(=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4S/c1-4-23(25(30)27-22-12-11-20(28(31)32)14-17(22)3)33-21-10-6-9-19(15-21)26-24(29)18-8-5-7-16(2)13-18/h5-15,23H,4H2,1-3H3,(H,26,29)(H,27,30)