2-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-cyclopropyl-amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[2-[(2-chloro-6-fluoro-phenyl)methyl-cyclopropyl-amino]-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-[(2-chloro-6-fluoro-benzyl)-cyclopropyl-amino]-2-keto-ethyl]thio]-N-(p-tolyl)acetamide Formula: C21H22ClFN2O2S MolecularWeight: 420.927983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCC(=O)N(CC2=C(C=CC=C2Cl)F)C3CC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCC(=O)N(CC2=C(C=CC=C2Cl)F)C3CC3

InChI

InChI=1S/C21H22ClFN2O2S/c1-14-5-7-15(8-6-14)24-20(26)12-28-13-21(27)25(16-9-10-16)11-17-18(22)3-2-4-19(17)23/h2-8,16H,9-13H2,1H3,(H,24,26)