2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxidanylidene-cyclohexene-1-carbothioamide

Systemtic Name: 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxidanylidene-cyclohexene-1-carbothioamide Openeye Name: 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxo-cyclohexene-1-carbothioamide CAS Name: 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxo-1-cyclohexenecarbothioamide IUPAC Name: 2-[(4-chlorophenyl)methylamino]-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide Traditional Name: 2-[(4-chlorobenzyl)amino]-N-(4-fluorophenyl)-6-keto-4,4-dimethyl-cyclohexene-1-carbothioamide Formula: C22H22ClFN2OS MolecularWeight: 416.939283

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)F)NCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)F)NCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H22ClFN2OS/c1-22(2)11-18(25-13-14-3-5-15(23)6-4-14)20(19(27)12-22)21(28)26-17-9-7-16(24)8-10-17/h3-10,25H,11-13H2,1-2H3,(H,26,28)