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

Systemtic Name: 3-nitro-N-[3-[1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]butan-2-yl]sulfanylphenyl]benzamide Openeye Name: N-[3-[1-[(4-isopropylphenyl)carbamoyl]propylsulfanyl]phenyl]-3-nitro-benzamide CAS Name: 3-nitro-N-[3-[[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]thio]phenyl]benzamide IUPAC Name: 3-nitro-N-[3-[1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]sulfanylphenyl]benzamide Traditional Name: 3-nitro-N-[3-[1-(p-cumenylcarbamoyl)propylthio]phenyl]benzamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O4S/c1-4-24(26(31)27-20-13-11-18(12-14-20)17(2)3)34-23-10-6-8-21(16-23)28-25(30)19-7-5-9-22(15-19)29(32)33/h5-17,24H,4H2,1-3H3,(H,27,31)(H,28,30)