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

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H20N6O5S2 MolecularWeight: 512.5614

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C22H20N6O5S2/c1-2-27-19-10-7-17(28(30)31)15-20(19)34-22(27)25-21(29)16-5-8-18(9-6-16)35(32,33)26(13-3-11-23)14-4-12-24/h5-10,15H,2-4,13-14H2,1H3