N-(4-fluorophenyl)-4,4-dimethyl-6-oxidanylidene-2-(phenethylamino)cyclohexene-1-carbothioamide

Systemtic Name: N-(4-fluorophenyl)-4,4-dimethyl-6-oxidanylidene-2-(phenethylamino)cyclohexene-1-carbothioamide Openeye Name: N-(4-fluorophenyl)-4,4-dimethyl-6-oxo-2-(phenethylamino)cyclohexene-1-carbothioamide CAS Name: N-(4-fluorophenyl)-4,4-dimethyl-6-oxo-2-(phenethylamino)-1-cyclohexenecarbothioamide IUPAC Name: N-(4-fluorophenyl)-4,4-dimethyl-6-oxo-2-(phenethylamino)cyclohexene-1-carbothioamide Traditional Name: N-(4-fluorophenyl)-6-keto-4,4-dimethyl-2-(phenethylamino)cyclohexene-1-carbothioamide Formula: C23H25FN2OS MolecularWeight: 396.520803

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)F)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)F)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C23H25FN2OS/c1-23(2)14-19(25-13-12-16-6-4-3-5-7-16)21(20(27)15-23)22(28)26-18-10-8-17(24)9-11-18/h3-11,25H,12-15H2,1-2H3,(H,26,28)