3-chloranyl-N-[3-[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H18ClN3O4S/c1-14-10-18(26(29)30)8-9-20(14)25-21(27)13-31-19-7-3-6-17(12-19)24-22(28)15-4-2-5-16(23)11-15/h2-12H,13H2,1H3,(H,24,28)(H,25,27)