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

Systemtic Name: N-[3-[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[1-[(4-acetamidophenyl)carbamoyl]propylsulfanyl]phenyl]-3-nitro-benzamide CAS Name: N-[3-[[1-(4-acetamidoanilino)-1-oxobutan-2-yl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[1-(4-acetamidoanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[1-[(4-acetamidophenyl)carbamoyl]propylthio]phenyl]-3-nitro-benzamide Formula: C25H24N4O5S MolecularWeight: 492.54686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O5S/c1-3-23(25(32)27-19-12-10-18(11-13-19)26-16(2)30)35-22-9-5-7-20(15-22)28-24(31)17-6-4-8-21(14-17)29(33)34/h4-15,23H,3H2,1-2H3,(H,26,30)(H,27,32)(H,28,31)