methyl N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=C(C=C2)N=C(N)SC

Isomeric SMILES

CN1CCC2=C(C1)C=C(C=C2)N=C(N)SC

InChI

InChI=1S/C12H17N3S/c1-15-6-5-9-3-4-11(7-10(9)8-15)14-12(13)16-2/h3-4,7H,5-6,8H2,1-2H3,(H2,13,14)