N-(3-sulfamoylphenyl)-4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)benzamide

Systemtic Name: N-(3-sulfamoylphenyl)-4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)benzamide Openeye Name: N-(3-sulfamoylphenyl)-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide CAS Name: 4-[[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]amino]-N-(3-sulfamoylphenyl)benzamide IUPAC Name: N-(3-sulfamoylphenyl)-4-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzamide Traditional Name: N-(3-sulfamoylphenyl)-4-[[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]amino]benzamide Formula: C21H17N5O4S3 MolecularWeight: 499.58578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C21H17N5O4S3/c22-33(29,30)16-3-1-2-15(10-16)26-19(28)13-4-6-14(7-5-13)25-18(27)11-32-21-17-8-9-31-20(17)23-12-24-21/h1-10,12H,11H2,(H,25,27)(H,26,28)(H2,22,29,30)