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

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C24H21N5O5S3 MolecularWeight: 555.64904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N5O5S3/c1-3-14-29-21-11-10-20(36(2,31)32)17-22(21)35-24(29)27-23(30)18-6-8-19(9-7-18)37(33,34)28(15-4-12-25)16-5-13-26/h1,6-11,17H,4-5,14-16H2,2H3