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

Systemtic Name: 4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxidanylidene-N-(4-phenylazanylphenyl)cyclohexene-1-carbothioamide Openeye Name: N-(4-anilinophenyl)-4,4-dimethyl-2-(2-morpholinoethylamino)-6-oxo-cyclohexene-1-carbothioamide CAS Name: N-(4-anilinophenyl)-4,4-dimethyl-2-[2-(4-morpholinyl)ethylamino]-6-oxo-1-cyclohexenecarbothioamide IUPAC Name: N-(4-anilinophenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide Traditional Name: N-(4-anilinophenyl)-6-keto-4,4-dimethyl-2-(2-morpholinoethylamino)cyclohexene-1-carbothioamide Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3)NCCN4CCOCC4)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(=S)NC2=CC=C(C=C2)NC3=CC=CC=C3)NCCN4CCOCC4)C

InChI

InChI=1S/C27H34N4O2S/c1-27(2)18-23(28-12-13-31-14-16-33-17-15-31)25(24(32)19-27)26(34)30-22-10-8-21(9-11-22)29-20-6-4-3-5-7-20/h3-11,28-29H,12-19H2,1-2H3,(H,30,34)