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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F

InChI

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