N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide

Systemtic Name: N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Openeye Name: N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide CAS Name: N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide IUPAC Name: N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Traditional Name: N-(6-acetamido-3-methyl-1,3-benzothiazol-2-ylidene)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Formula: C23H22N6O4S2 MolecularWeight: 510.58858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)S2)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)S2)C

InChI

InChI=1S/C23H22N6O4S2/c1-16(30)26-18-7-10-20-21(15-18)34-23(28(20)2)27-22(31)17-5-8-19(9-6-17)35(32,33)29(13-3-11-24)14-4-12-25/h5-10,15H,3-4,13-14H2,1-2H3,(H,26,30)