methyl N'-tert-butyl-N-(2-chloranylcyclohexen-1-yl)carbamimidothioate

Systemtic Name: methyl N'-tert-butyl-N-(2-chloranylcyclohexen-1-yl)carbamimidothioate Openeye Name: 3-tert-butyl-1-(2-chlorocyclohexen-1-yl)-2-methyl-isothiourea CAS Name: N'-tert-butyl-N-(2-chloro-1-cyclohexenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-tert-butyl-N-(2-chlorocyclohexen-1-yl)carbamimidothioate Traditional Name: 3-tert-butyl-1-(2-chlorocyclohexen-1-yl)-2-methyl-isothiourea Formula: C12H21ClN2S MolecularWeight: 260.82654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(NC1=C(CCCC1)Cl)SC

Isomeric SMILES

CC(C)(C)N=C(NC1=C(CCCC1)Cl)SC

InChI

InChI=1S/C12H21ClN2S/c1-12(2,3)15-11(16-4)14-10-8-6-5-7-9(10)13/h5-8H2,1-4H3,(H,14,15)