2-cyano-3-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3-pyridin-3-yl-propanethioamide; morpholine

Systemtic Name: 2-cyano-3-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3-pyridin-3-yl-propanethioamide; morpholine Openeye Name: 2-cyano-3-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-3-(3-pyridyl)propanethioamide; morpholine CAS Name: 2-cyano-3-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-3-(3-pyridinyl)propanethioamide; morpholine IUPAC Name: 2-cyano-3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-pyridin-3-ylpropanethioamide; morpholine Traditional Name: 2-cyano-3-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-3-(3-pyridyl)thiopropionamide; morpholine Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C2=CN=CC=C2)C(C#N)C(=S)N)O)C.C1COCCN1

Isomeric SMILES

CC1(CC(=C(C(=O)C1)C(C2=CN=CC=C2)C(C#N)C(=S)N)O)C.C1COCCN1

InChI

InChI=1S/C17H19N3O2S.C4H9NO/c1-17(2)6-12(21)15(13(22)7-17)14(11(8-18)16(19)23)10-4-3-5-20-9-10;1-3-6-4-2-5-1/h3-5,9,11,14,21H,6-7H2,1-2H3,(H2,19,23);5H,1-4H2