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

Systemtic Name: N-[3-[1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(4-acetylanilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[3-[[1-(4-acetylanilino)-1-oxopropan-2-yl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[[2-(4-acetylanilino)-2-keto-1-methyl-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O5S/c1-15(28)17-6-10-19(11-7-17)25-23(29)16(2)33-22-5-3-4-20(14-22)26-24(30)18-8-12-21(13-9-18)27(31)32/h3-14,16H,1-2H3,(H,25,29)(H,26,30)