4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-bromanyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-bromanyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-bromo-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-bromo-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-bromo-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-bromo-1,3-benzothiazol-2-yl)benzamide Formula: C20H16BrN5O3S2 MolecularWeight: 518.40674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)Br)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)Br)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C20H16BrN5O3S2/c21-15-5-8-17-18(13-15)30-20(24-17)25-19(27)14-3-6-16(7-4-14)31(28,29)26(11-1-9-22)12-2-10-23/h3-8,13H,1-2,11-12H2,(H,24,25,27)