3-(1-sulfanylbenzimidazol-2-yl)propyl carbamimidothioate dihydrochloride

Systemtic Name: 3-(1-sulfanylbenzimidazol-2-yl)propyl carbamimidothioate dihydrochloride Openeye Name: 2-[3-(1-sulfanylbenzimidazol-2-yl)propyl]isothiourea dihydrochloride CAS Name: carbamimidothioic acid 3-(1-mercapto-2-benzimidazolyl)propyl ester dihydrochloride IUPAC Name: 3-(1-sulfanylbenzimidazol-2-yl)propyl carbamimidothioate dihydrochloride Traditional Name: 2-[3-(1-mercaptobenzimidazol-2-yl)propyl]isothiourea dihydrochloride Formula: C11H16Cl2N4S2 MolecularWeight: 339.30754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2S)CCCSC(=N)N.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2S)CCCSC(=N)N.Cl.Cl

InChI

InChI=1S/C11H14N4S2.2ClH/c12-11(13)17-7-3-6-10-14-8-4-1-2-5-9(8)15(10)16;;/h1-2,4-5,16H,3,6-7H2,(H3,12,13);2*1H