methyl N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-phenyl-carbamimidothioate

Systemtic Name: methyl N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-phenyl-carbamimidothioate Openeye Name: 2-methyl-3-(1-methyl-4,5-dihydroimidazol-2-yl)-1-phenyl-isothiourea CAS Name: N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(1-methyl-4,5-dihydroimidazol-2-yl)-N-phenylcarbamimidothioate Traditional Name: 2-methyl-3-(1-methyl-2-imidazolin-2-yl)-1-phenyl-isothiourea Formula: C12H16N4S MolecularWeight: 248.34724

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C1N=C(NC2=CC=CC=C2)SC

Isomeric SMILES

CN1CCN=C1/N=C(/NC2=CC=CC=C2)\SC

InChI

InChI=1S/C12H16N4S/c1-16-9-8-13-11(16)15-12(17-2)14-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,14,15)