[2-methyl-3-(phenylmethyl)imidazol-4-yl]methyl carbamimidothioate chloride

Systemtic Name: [2-methyl-3-(phenylmethyl)imidazol-4-yl]methyl carbamimidothioate chloride Openeye Name: 2-[(3-benzyl-2-methyl-imidazol-4-yl)methyl]isothiourea chloride CAS Name: carbamimidothioic acid [2-methyl-3-(phenylmethyl)-4-imidazolyl]methyl ester chloride IUPAC Name: (3-benzyl-2-methylimidazol-4-yl)methyl carbamimidothioate chloride Traditional Name: 2-[(3-benzyl-2-methyl-imidazol-4-yl)methyl]isothiourea chloride Formula: C13H16ClN4S- MolecularWeight: 295.81094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC2=CC=CC=C2)CSC(=N)N.[Cl-]

Isomeric SMILES

CC1=NC=C(N1CC2=CC=CC=C2)CSC(=N)N.[Cl-]

InChI

InChI=1S/C13H16N4S.ClH/c1-10-16-7-12(9-18-13(14)15)17(10)8-11-5-3-2-4-6-11;/h2-7H,8-9H2,1H3,(H3,14,15);1H/p-1