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

Systemtic Name: 4-nitro-N-[3-(1-oxidanylidene-1-phenylazanyl-butan-2-yl)sulfanylphenyl]benzamide Openeye Name: 4-nitro-N-[3-[1-(phenylcarbamoyl)propylsulfanyl]phenyl]benzamide CAS Name: N-[3-[(1-anilino-1-oxobutan-2-yl)thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-(1-anilino-1-oxobutan-2-yl)sulfanylphenyl]-4-nitrobenzamide Traditional Name: 4-nitro-N-[3-[1-(phenylcarbamoyl)propylthio]phenyl]benzamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4S/c1-2-21(23(28)24-17-7-4-3-5-8-17)31-20-10-6-9-18(15-20)25-22(27)16-11-13-19(14-12-16)26(29)30/h3-15,21H,2H2,1H3,(H,24,28)(H,25,27)