2-isoquinolin-1-ylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-isoquinolin-1-ylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(1-isoquinolylsulfanyl)-N-[4-(thiazol-2-ylsulfamoyl)phenyl]acetamide CAS Name: 2-(1-isoquinolinylthio)-N-[4-(2-thiazolylsulfamoyl)phenyl]acetamide IUPAC Name: 2-isoquinolin-1-ylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-(1-isoquinolylthio)-N-[4-(thiazol-2-ylsulfamoyl)phenyl]acetamide Formula: C20H16N4O3S3 MolecularWeight: 456.56104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4

InChI

InChI=1S/C20H16N4O3S3/c25-18(13-29-19-17-4-2-1-3-14(17)9-10-21-19)23-15-5-7-16(8-6-15)30(26,27)24-20-22-11-12-28-20/h1-12H,13H2,(H,22,24)(H,23,25)