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

Systemtic Name: N-[3-[1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[2-(3-chloro-4-methyl-anilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[3-[[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[[2-(3-chloro-4-methyl-anilino)-2-keto-1-methyl-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C23H20ClN3O4S MolecularWeight: 469.9406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H20ClN3O4S/c1-14-9-10-18(13-21(14)24)25-22(28)15(2)32-20-8-4-6-17(12-20)26-23(29)16-5-3-7-19(11-16)27(30)31/h3-13,15H,1-2H3,(H,25,28)(H,26,29)