(phenylmethyl) N'-cyclohexyl-N-propan-2-yl-carbamimidothioate hydrochloride

Systemtic Name: (phenylmethyl) N'-cyclohexyl-N-propan-2-yl-carbamimidothioate hydrochloride Openeye Name: 2-benzyl-3-cyclohexyl-1-isopropyl-isothiourea hydrochloride CAS Name: N'-cyclohexyl-N-propan-2-ylcarbamimidothioic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl N'-cyclohexyl-N-propan-2-ylcarbamimidothioate hydrochloride Traditional Name: 2-benzyl-3-cyclohexyl-1-isopropyl-isothiourea hydrochloride Formula: C17H27ClN2S MolecularWeight: 326.92768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=NC1CCCCC1)SCC2=CC=CC=C2.Cl

Isomeric SMILES

CC(C)NC(=NC1CCCCC1)SCC2=CC=CC=C2.Cl

InChI

InChI=1S/C17H26N2S.ClH/c1-14(2)18-17(19-16-11-7-4-8-12-16)20-13-15-9-5-3-6-10-15;/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3,(H,18,19);1H