(3,3-dimethyl-4H-isoquinolin-1-yl)methyl carbamimidothioate

Systemtic Name: (3,3-dimethyl-4H-isoquinolin-1-yl)methyl carbamimidothioate Openeye Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (3,3-dimethyl-4H-isoquinolin-1-yl)methyl ester IUPAC Name: (3,3-dimethyl-4H-isoquinolin-1-yl)methyl carbamimidothioate Traditional Name: 2-[(3,3-dimethyl-4H-isoquinolin-1-yl)methyl]isothiourea Formula: C13H17N3S MolecularWeight: 247.35918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)CSC(=N)N)C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)CSC(=N)N)C

InChI

InChI=1S/C13H17N3S/c1-13(2)7-9-5-3-4-6-10(9)11(16-13)8-17-12(14)15/h3-6H,7-8H2,1-2H3,(H3,14,15)