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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-[bis(2-cyanoethyl)sulfamoyl]-N-(2-diethylaminoethyl)benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-[bis(2-cyanoethyl)sulfamoyl]-N-(2-diethylaminoethyl)benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-[bis(2-cyanoethyl)sulfamoyl]-N-(2-diethylaminoethyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-[bis(2-cyanoethyl)sulfamoyl]-N-(2-diethylaminoethyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-[bis(2-cyanoethyl)sulfamoyl]-N-(2-diethylaminoethyl)benzamide Formula: C26H30N6O3S2 MolecularWeight: 538.6848

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C26H30N6O3S2/c1-3-30(4-2)19-20-32(26-29-23-9-5-6-10-24(23)36-26)25(33)21-11-13-22(14-12-21)37(34,35)31(17-7-15-27)18-8-16-28/h5-6,9-14H,3-4,7-8,17-20H2,1-2H3