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

Systemtic Name: N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]-4,4-dimethyl-6-oxidanylidene-cyclohexene-1-carbothioamide Openeye Name: N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]-4,4-dimethyl-6-oxo-cyclohexene-1-carbothioamide CAS Name: N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]-4,4-dimethyl-6-oxo-1-cyclohexenecarbothioamide IUPAC Name: N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]-4,4-dimethyl-6-oxocyclohexene-1-carbothioamide Traditional Name: N-(4-fluorophenyl)-6-keto-4,4-dimethyl-2-(p-anisylamino)cyclohexene-1-carbothioamide Formula: C23H25FN2O2S MolecularWeight: 412.520203

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN2O2S/c1-23(2)12-19(25-14-15-4-10-18(28-3)11-5-15)21(20(27)13-23)22(29)26-17-8-6-16(24)7-9-17/h4-11,25H,12-14H2,1-3H3,(H,26,29)