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

Systemtic Name: N-(4-fluorophenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxidanylidene-cyclohexene-1-carbothioamide Openeye Name: N-(4-fluorophenyl)-4,4-dimethyl-2-(2-morpholinoethylamino)-6-oxo-cyclohexene-1-carbothioamide CAS Name: N-(4-fluorophenyl)-4,4-dimethyl-2-[2-(4-morpholinyl)ethylamino]-6-oxo-1-cyclohexenecarbothioamide IUPAC Name: N-(4-fluorophenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide Traditional Name: N-(4-fluorophenyl)-6-keto-4,4-dimethyl-2-(2-morpholinoethylamino)cyclohexene-1-carbothioamide Formula: C21H28FN3O2S MolecularWeight: 405.529323

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)F)NCCN3CCOCC3)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)F)NCCN3CCOCC3)C

InChI

InChI=1S/C21H28FN3O2S/c1-21(2)13-17(23-7-8-25-9-11-27-12-10-25)19(18(26)14-21)20(28)24-16-5-3-15(22)4-6-16/h3-6,23H,7-14H2,1-2H3,(H,24,28)