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

Systemtic Name: 3-nitro-N-[3-[1-oxidanylidene-1-[(4-phenoxyphenyl)amino]butan-2-yl]sulfanylphenyl]benzamide Openeye Name: 3-nitro-N-[3-[1-[(4-phenoxyphenyl)carbamoyl]propylsulfanyl]phenyl]benzamide CAS Name: 3-nitro-N-[3-[[1-oxo-1-(4-phenoxyanilino)butan-2-yl]thio]phenyl]benzamide IUPAC Name: 3-nitro-N-[3-[1-oxo-1-(4-phenoxyanilino)butan-2-yl]sulfanylphenyl]benzamide Traditional Name: 3-nitro-N-[3-[1-[(4-phenoxyphenyl)carbamoyl]propylthio]phenyl]benzamide Formula: C29H25N3O5S MolecularWeight: 527.5909

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H25N3O5S/c1-2-27(29(34)30-21-14-16-25(17-15-21)37-24-11-4-3-5-12-24)38-26-13-7-9-22(19-26)31-28(33)20-8-6-10-23(18-20)32(35)36/h3-19,27H,2H2,1H3,(H,30,34)(H,31,33)