[4-(6-methylheptoxy)phenyl]methyl carbamimidothioate hydrochloride

Systemtic Name: [4-(6-methylheptoxy)phenyl]methyl carbamimidothioate hydrochloride Openeye Name: 2-[[4-(6-methylheptoxy)phenyl]methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid [4-(6-methylheptoxy)phenyl]methyl ester hydrochloride IUPAC Name: [4-(6-methylheptoxy)phenyl]methyl carbamimidothioate hydrochloride Traditional Name: 2-[4-(6-methylheptoxy)benzyl]isothiourea hydrochloride Formula: C16H27ClN2OS MolecularWeight: 330.91638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC1=CC=C(C=C1)CSC(=N)N.Cl

Isomeric SMILES

CC(C)CCCCCOC1=CC=C(C=C1)CSC(=N)N.Cl

InChI

InChI=1S/C16H26N2OS.ClH/c1-13(2)6-4-3-5-11-19-15-9-7-14(8-10-15)12-20-16(17)18;/h7-10,13H,3-6,11-12H2,1-2H3,(H3,17,18);1H