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

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H20N6O6S2 MolecularWeight: 528.5608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=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

CN1C2=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/C22H20N6O6S2/c1-26-20-18(34-2)13-16(28(30)31)14-19(20)35-22(26)25-21(29)15-5-7-17(8-6-15)36(32,33)27(11-3-9-23)12-4-10-24/h5-8,13-14H,3-4,11-12H2,1-2H3