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

Systemtic Name: N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxidanylidene-cyclohexene-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholinoethylamino)-6-oxo-cyclohexene-1-carbothioamide CAS Name: N-(4-butylphenyl)-4,4-dimethyl-2-[2-(4-morpholinyl)ethylamino]-6-oxo-1-cyclohexenecarbothioamide IUPAC Name: N-(4-butylphenyl)-4,4-dimethyl-2-(2-morpholin-4-ylethylamino)-6-oxocyclohexene-1-carbothioamide Traditional Name: N-(4-butylphenyl)-6-keto-4,4-dimethyl-2-(2-morpholinoethylamino)cyclohexene-1-carbothioamide Formula: C25H37N3O2S MolecularWeight: 443.64518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NCCN3CCOCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)C2=C(CC(CC2=O)(C)C)NCCN3CCOCC3

InChI

InChI=1S/C25H37N3O2S/c1-4-5-6-19-7-9-20(10-8-19)27-24(31)23-21(17-25(2,3)18-22(23)29)26-11-12-28-13-15-30-16-14-28/h7-10,26H,4-6,11-18H2,1-3H3,(H,27,31)