(5,5-dimethyl-3-oxidanylidene-2-propanoyl-cyclohexen-1-yl) carbamimidothioate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-2-propanoyl-cyclohexen-1-yl) carbamimidothioate Openeye Name: 2-(5,5-dimethyl-3-oxo-2-propanoyl-cyclohexen-1-yl)isothiourea CAS Name: carbamimidothioic acid [5,5-dimethyl-3-oxo-2-(1-oxopropyl)-1-cyclohexenyl] ester IUPAC Name: (5,5-dimethyl-3-oxo-2-propanoylcyclohexen-1-yl) carbamimidothioate Traditional Name: 2-(3-keto-5,5-dimethyl-2-propionyl-cyclohexen-1-yl)isothiourea Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(CC(CC1=O)(C)C)SC(=N)N

Isomeric SMILES

CCC(=O)C1=C(CC(CC1=O)(C)C)SC(=N)N

InChI

InChI=1S/C12H18N2O2S/c1-4-7(15)10-8(16)5-12(2,3)6-9(10)17-11(13)14/h4-6H2,1-3H3,(H3,13,14)