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

Systemtic Name: ethyl N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamimidothioate Openeye Name: 2-ethyl-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 ethyl ester IUPAC Name: ethyl N'-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamimidothioate Traditional Name: 2-ethyl-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)isothiourea Formula: C13H19N3S MolecularWeight: 249.37506

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC2=C(CCN(C2)C)C=C1)N

Isomeric SMILES

CCSC(=NC1=CC2=C(CCN(C2)C)C=C1)N

InChI

InChI=1S/C13H19N3S/c1-3-17-13(14)15-12-5-4-10-6-7-16(2)9-11(10)8-12/h4-5,8H,3,6-7,9H2,1-2H3,(H2,14,15)