N-[3-(dimethylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-[3-(dimethylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[3-(dimethylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[3-(dimethylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[3-(dimethylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[3-(dimethylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C18H21N3O2S2 MolecularWeight: 375.50824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H21N3O2S2/c1-20(2)25(22,23)17-9-5-8-16(12-17)19-18(24)21-11-10-14-6-3-4-7-15(14)13-21/h3-9,12H,10-11,13H2,1-2H3,(H,19,24)