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

Systemtic Name: N-(4-fluorophenyl)-4,4-dimethyl-6-oxidanylidene-2-[(phenylmethyl)amino]cyclohexene-1-carbothioamide Openeye Name: 2-(benzylamino)-N-(4-fluorophenyl)-4,4-dimethyl-6-oxo-cyclohexene-1-carbothioamide CAS Name: N-(4-fluorophenyl)-4,4-dimethyl-6-oxo-2-[(phenylmethyl)amino]-1-cyclohexenecarbothioamide IUPAC Name: 2-(benzylamino)-N-(4-fluorophenyl)-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide Traditional Name: 2-(benzylamino)-N-(4-fluorophenyl)-6-keto-4,4-dimethyl-cyclohexene-1-carbothioamide Formula: C22H23FN2OS MolecularWeight: 382.494223

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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=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN2OS/c1-22(2)12-18(24-14-15-6-4-3-5-7-15)20(19(26)13-22)21(27)25-17-10-8-16(23)9-11-17/h3-11,24H,12-14H2,1-2H3,(H,25,27)