N-[4-[1-(diphenylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[4-[1-(diphenylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[4-[1-(diphenylcarbamoyl)propylsulfanyl]phenyl]-4-nitro-benzamide CAS Name: 4-nitro-N-[4-[[1-oxo-1-(N-phenylanilino)butan-2-yl]thio]phenyl]benzamide IUPAC Name: 4-nitro-N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]benzamide Traditional Name: N-[4-[1-(diphenylcarbamoyl)propylthio]phenyl]-4-nitro-benzamide Formula: C29H25N3O4S MolecularWeight: 511.5915

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)N(C1=CC=CC=C1)C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H25N3O4S/c1-2-27(29(34)31(23-9-5-3-6-10-23)24-11-7-4-8-12-24)37-26-19-15-22(16-20-26)30-28(33)21-13-17-25(18-14-21)32(35)36/h3-20,27H,2H2,1H3,(H,30,33)