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

Systemtic Name: 2,6-dimethoxy-N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]benzamide Openeye Name: 2,6-dimethoxy-N-[3-[1-[(4-nitrophenyl)carbamoyl]propylsulfanyl]phenyl]benzamide CAS Name: 2,6-dimethoxy-N-[3-[[1-(4-nitroanilino)-1-oxobutan-2-yl]thio]phenyl]benzamide IUPAC Name: 2,6-dimethoxy-N-[3-[1-(4-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide Traditional Name: 2,6-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=C(C=CC=C3OC)OC

Isomeric SMILES

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

InChI

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