N-[3-[1-[(3,5-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[1-[(3,5-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[1-[(3,5-dimethylphenyl)carbamoyl]propylsulfanyl]phenyl]-4-nitro-benzamide CAS Name: N-[3-[[1-(3,5-dimethylanilino)-1-oxobutan-2-yl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[1-(3,5-dimethylanilino)-1-oxobutan-2-yl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[1-[(3,5-dimethylphenyl)carbamoyl]propylthio]phenyl]-4-nitro-benzamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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