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

Systemtic Name: N-[4-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-methyl-benzamide Openeye Name: N-[4-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]sulfanylphenyl]-3-methyl-benzamide CAS Name: N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]thio]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide Traditional Name: N-[4-[[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]thio]phenyl]-3-methyl-benzamide Formula: C22H18ClFN2O2S MolecularWeight: 428.906923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H18ClFN2O2S/c1-14-3-2-4-15(11-14)22(28)26-16-5-8-18(9-6-16)29-13-21(27)25-17-7-10-20(24)19(23)12-17/h2-12H,13H2,1H3,(H,25,27)(H,26,28)