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

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-ethyl-4-methoxy-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C23H22N6O6S2 MolecularWeight: 542.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)[N+](=O)[O-])OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N)[N+](=O)[O-])OC

InChI

InChI=1S/C23H22N6O6S2/c1-3-28-21-19(35-2)14-17(29(31)32)15-20(21)36-23(28)26-22(30)16-6-8-18(9-7-16)37(33,34)27(12-4-10-24)13-5-11-25/h6-9,14-15H,3-5,12-13H2,1-2H3