N-(6-butyl-1,3-benzothiazol-2-yl)-3-(2-cyanoethylsulfamoyl)benzamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(2-cyanoethylsulfamoyl)benzamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(2-cyanoethylsulfamoyl)benzamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(2-cyanoethylsulfamoyl)benzamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(2-cyanoethylsulfamoyl)benzamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(2-cyanoethylsulfamoyl)benzamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C21H22N4O3S2/c1-2-3-6-15-9-10-18-19(13-15)29-21(24-18)25-20(26)16-7-4-8-17(14-16)30(27,28)23-12-5-11-22/h4,7-10,13-14,23H,2-3,5-6,12H2,1H3,(H,24,25,26)