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

Systemtic Name: 3,4-dimethoxy-N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide Openeye Name: 3,4-dimethoxy-N-[3-[1-[(4-nitrophenyl)carbamoyl]propylsulfanyl]phenyl]benzamide CAS Name: 3,4-dimethoxy-N-[3-[[1-(4-nitroanilino)-1-oxobutan-2-yl]thio]phenyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[3-[1-(4-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide Traditional Name: 3,4-dimethoxy-N-[3-[1-[(4-nitrophenyl)carbamoyl]propylthio]phenyl]benzamide Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O6S/c1-4-23(25(30)26-17-9-11-19(12-10-17)28(31)32)35-20-7-5-6-18(15-20)27-24(29)16-8-13-21(33-2)22(14-16)34-3/h5-15,23H,4H2,1-3H3,(H,26,30)(H,27,29)