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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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