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

Systemtic Name: N-[4-[1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-(4-chloroanilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[1-(4-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-(4-chloroanilino)-2-keto-1-methyl-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O4S/c1-14(21(27)24-17-7-5-16(23)6-8-17)31-20-11-9-18(10-12-20)25-22(28)15-3-2-4-19(13-15)26(29)30/h2-14H,1H3,(H,24,27)(H,25,28)