methyl N'-(4,7-dimethyl-1,3-dihydroisoindol-2-yl)carbamimidothioate

Systemtic Name: methyl N'-(4,7-dimethyl-1,3-dihydroisoindol-2-yl)carbamimidothioate Openeye Name: 3-(4,7-dimethylisoindolin-2-yl)-2-methyl-isothiourea CAS Name: N'-(4,7-dimethyl-1,3-dihydroisoindol-2-yl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4,7-dimethyl-1,3-dihydroisoindol-2-yl)carbamimidothioate Traditional Name: 3-(4,7-dimethylisoindolin-2-yl)-2-methyl-isothiourea Formula: C12H17N3S MolecularWeight: 235.34848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CN(CC2=C(C=C1)C)N=C(N)SC

Isomeric SMILES

CC1=C2CN(CC2=C(C=C1)C)/N=C(/N)\SC

InChI

InChI=1S/C12H17N3S/c1-8-4-5-9(2)11-7-15(6-10(8)11)14-12(13)16-3/h4-5H,6-7H2,1-3H3,(H2,13,14)