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

Systemtic Name: (2-butanoyl-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) carbamimidothioate Openeye Name: 2-(2-butanoyl-5,5-dimethyl-3-oxo-cyclohexen-1-yl)isothiourea CAS Name: carbamimidothioic acid [5,5-dimethyl-3-oxo-2-(1-oxobutyl)-1-cyclohexenyl] ester IUPAC Name: (2-butanoyl-5,5-dimethyl-3-oxocyclohexen-1-yl) carbamimidothioate Traditional Name: 2-(2-butyryl-3-keto-5,5-dimethyl-cyclohexen-1-yl)isothiourea Formula: C13H20N2O2S MolecularWeight: 268.3751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S/c1-4-5-8(16)11-9(17)6-13(2,3)7-10(11)18-12(14)15/h4-7H2,1-3H3,(H3,14,15)