4-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)butanamide

Systemtic Name: 4-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-methylphenyl)butanamide Openeye Name: 4-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]sulfanyl-N-(m-tolyl)butanamide CAS Name: 4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]thio]-N-(3-methylphenyl)butanamide IUPAC Name: 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)butanamide Traditional Name: 4-[[2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl]thio]-N-(m-tolyl)butyramide Formula: C19H20ClFN2O2S MolecularWeight: 394.890703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCSCC(=O)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C19H20ClFN2O2S/c1-13-4-2-5-14(10-13)22-18(24)6-3-9-26-12-19(25)23-15-7-8-17(21)16(20)11-15/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,22,24)(H,23,25)