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

Systemtic Name: [2-methyl-3-(phenylmethyl)imidazol-4-yl]methyl carbamimidothioate dihydrochloride Openeye Name: 2-[(3-benzyl-2-methyl-imidazol-4-yl)methyl]isothiourea dihydrochloride CAS Name: carbamimidothioic acid [2-methyl-3-(phenylmethyl)-4-imidazolyl]methyl ester dihydrochloride IUPAC Name: (3-benzyl-2-methylimidazol-4-yl)methyl carbamimidothioate dihydrochloride Traditional Name: 2-[(3-benzyl-2-methyl-imidazol-4-yl)methyl]isothiourea dihydrochloride Formula: C13H18Cl2N4S MolecularWeight: 333.27982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4S.2ClH/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);2*1H