N-(1,3-benzothiazol-5-yl)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide

Systemtic Name: N-(1,3-benzothiazol-5-yl)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Openeye Name: N-(1,3-benzothiazol-5-yl)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide CAS Name: N-(1,3-benzothiazol-5-yl)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide IUPAC Name: N-(1,3-benzothiazol-5-yl)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Traditional Name: N-(1,3-benzothiazol-5-yl)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Formula: C20H17N5O3S2 MolecularWeight: 439.51068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)SC=N3)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)SC=N3)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C20H17N5O3S2/c21-9-1-11-25(12-2-10-22)30(27,28)17-6-3-15(4-7-17)20(26)24-16-5-8-19-18(13-16)23-14-29-19/h3-8,13-14H,1-2,11-12H2,(H,24,26)