N-[4-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-(4-acetylanilino)-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[2-(4-acetylanilino)-2-oxoethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-(4-acetylanilino)-2-keto-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O5S/c1-15(27)16-5-7-18(8-6-16)24-22(28)14-32-21-11-9-19(10-12-21)25-23(29)17-3-2-4-20(13-17)26(30)31/h2-13H,14H2,1H3,(H,24,28)(H,25,29)