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

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H21N5O3S2 MolecularWeight: 467.56384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C22H21N5O3S2/c1-16-5-10-19-20(15-16)31-22(26(19)2)25-21(28)17-6-8-18(9-7-17)32(29,30)27(13-3-11-23)14-4-12-24/h5-10,15H,3-4,13-14H2,1-2H3