(5-methyl-2-propan-2-yl-cyclohexyl) 2-carbamimidoylsulfanylethanoate hydrochloride

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-carbamimidoylsulfanylethanoate hydrochloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-carbamimidoylsulfanylacetate hydrochloride CAS Name: 2-(carbamimidoylthio)acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester hydrochloride IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-carbamimidoylsulfanylacetate hydrochloride Traditional Name: 2-(amidinothio)acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester hydrochloride Formula: C13H25ClN2O2S MolecularWeight: 308.8678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC(=N)N)C(C)C.Cl

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC(=N)N)C(C)C.Cl

InChI

InChI=1S/C13H24N2O2S.ClH/c1-8(2)10-5-4-9(3)6-11(10)17-12(16)7-18-13(14)15;/h8-11H,4-7H2,1-3H3,(H3,14,15);1H