S-(8-chloranylisoquinolin-7-yl) N,N-dimethylcarbamothioate

Systemtic Name: S-(8-chloranylisoquinolin-7-yl) N,N-dimethylcarbamothioate Openeye Name: S-[(8-chloro-7-isoquinolyl)] N,N-dimethylcarbamothioate CAS Name: N,N-dimethylcarbamothioic acid S-[(8-chloro-7-isoquinolinyl)] ester IUPAC Name: S-(8-chloroisoquinolin-7-yl) N,N-dimethylcarbamothioate Traditional Name: N,N-dimethylthiocarbamic acid S-[(8-chloro-7-isoquinolyl)] ester Formula: C12H11ClN2OS MolecularWeight: 266.74654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)SC1=C(C2=C(C=C1)C=CN=C2)Cl

Isomeric SMILES

CN(C)C(=O)SC1=C(C2=C(C=C1)C=CN=C2)Cl

InChI

InChI=1S/C12H11ClN2OS/c1-15(2)12(16)17-10-4-3-8-5-6-14-7-9(8)11(10)13/h3-7H,1-2H3