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

Systemtic Name: 4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxidanylidene-N-phenyl-cyclohexene-1-carbothioamide Openeye Name: 4,4-dimethyl-2-(2-morpholinoethylamino)-6-oxo-N-phenyl-cyclohexene-1-carbothioamide CAS Name: 4,4-dimethyl-2-[2-(4-morpholinyl)ethylamino]-6-oxo-N-phenyl-1-cyclohexenecarbothioamide IUPAC Name: 4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxo-N-phenylcyclohexene-1-carbothioamide Traditional Name: 6-keto-4,4-dimethyl-2-(2-morpholinoethylamino)-N-phenyl-cyclohexene-1-carbothioamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2S/c1-21(2)14-17(22-8-9-24-10-12-26-13-11-24)19(18(25)15-21)20(27)23-16-6-4-3-5-7-16/h3-7,22H,8-15H2,1-2H3,(H,23,27)