(phenylmethyl) N,N'-dicyclohexylcarbamimidothioate dihydrochloride

Systemtic Name: (phenylmethyl) N,N'-dicyclohexylcarbamimidothioate dihydrochloride Openeye Name: 2-benzyl-1,3-dicyclohexyl-isothiourea dihydrochloride CAS Name: N,N'-dicyclohexylcarbamimidothioic acid (phenylmethyl) ester dihydrochloride IUPAC Name: benzyl N,N'-dicyclohexylcarbamimidothioate dihydrochloride Traditional Name: 2-benzyl-1,3-dicyclohexyl-isothiourea dihydrochloride Formula: C20H32Cl2N2S MolecularWeight: 403.45248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C20H30N2S.2ClH/c1-4-10-17(11-5-1)16-23-20(21-18-12-6-2-7-13-18)22-19-14-8-3-9-15-19;;/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2,(H,21,22);2*1H