(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl carbamimidothioate hydrochloride

Systemtic Name: (2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(2-methyl-2,3-dihydrobenzofuran-5-yl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (2-methyl-2,3-dihydrobenzofuran-5-yl)methyl ester hydrochloride IUPAC Name: (2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl carbamimidothioate hydrochloride Traditional Name: 2-[(2-methylcoumaran-5-yl)methyl]isothiourea hydrochloride Formula: C11H15ClN2OS MolecularWeight: 258.7676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)CSC(=N)N.Cl

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)CSC(=N)N.Cl

InChI

InChI=1S/C11H14N2OS.ClH/c1-7-4-9-5-8(6-15-11(12)13)2-3-10(9)14-7;/h2-3,5,7H,4,6H2,1H3,(H3,12,13);1H