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

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C23H23N5O3S2 MolecularWeight: 481.59042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O3S2/c1-16-14-17(2)21-20(15-16)32-23(27(21)3)26-22(29)18-6-8-19(9-7-18)33(30,31)28(12-4-10-24)13-5-11-25/h6-9,14-15H,4-5,12-13H2,1-3H3