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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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