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

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(4-bromophenyl)thiazol-2-yl]benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(4-bromophenyl)-2-thiazolyl]benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-[4-(4-bromophenyl)thiazol-2-yl]benzamide Formula: C22H18BrN5O3S2 MolecularWeight: 544.44402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)Br

InChI

InChI=1S/C22H18BrN5O3S2/c23-18-7-3-16(4-8-18)20-15-32-22(26-20)27-21(29)17-5-9-19(10-6-17)33(30,31)28(13-1-11-24)14-2-12-25/h3-10,15H,1-2,13-14H2,(H,26,27,29)