N'-(cycloheptylmethyl)-2-sulfanyl-ethanimidamide hydrate dihydrochloride

Systemtic Name: N'-(cycloheptylmethyl)-2-sulfanyl-ethanimidamide hydrate dihydrochloride Openeye Name: N'-(cycloheptylmethyl)-2-sulfanyl-acetamidine hydrate dihydrochloride CAS Name: N'-(cycloheptylmethyl)-2-mercaptoethanimidamide hydrate dihydrochloride IUPAC Name: N'-(cycloheptylmethyl)-2-sulfanylethanimidamide hydrate dihydrochloride Traditional Name: N'-(cycloheptylmethyl)-2-mercapto-acetamidine hydrate dihydrochloride Formula: C20H44Cl2N4OS2 MolecularWeight: 491.62556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)CN=C(CS)N.C1CCCC(CC1)CN=C(CS)N.O.Cl.Cl

Isomeric SMILES

C1CCCC(CC1)CN=C(CS)N.C1CCCC(CC1)CN=C(CS)N.O.Cl.Cl

InChI

InChI=1S/2C10H20N2S.2ClH.H2O/c2*11-10(8-13)12-7-9-5-3-1-2-4-6-9;;;/h2*9,13H,1-8H2,(H2,11,12);2*1H;1H2