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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)N2C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)N2C

InChI

InChI=1S/C22H21N5O3S2/c1-16-6-3-7-19-20(16)26(2)22(31-19)25-21(28)17-8-10-18(11-9-17)32(29,30)27(14-4-12-23)15-5-13-24/h3,6-11H,4-5,14-15H2,1-2H3