4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(4-pyridyl)thiazol-2-yl]benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-pyridin-4-yl-2-thiazolyl)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(4-pyridyl)thiazol-2-yl]benzamide Formula: C21H18N6O3S2 MolecularWeight: 466.53602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=NC(=CS2)C3=CC=NC=C3)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=NC(=CS2)C3=CC=NC=C3)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C21H18N6O3S2/c22-9-1-13-27(14-2-10-23)32(29,30)18-5-3-17(4-6-18)20(28)26-21-25-19(15-31-21)16-7-11-24-12-8-16/h3-8,11-12,15H,1-2,13-14H2,(H,25,26,28)