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

Systemtic Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-bromanyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: N-(3-allyl-6-bromo-1,3-benzothiazol-2-ylidene)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide CAS Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-bromo-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-[bis(2-cyanoethyl)sulfamoyl]-N-(6-bromo-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: N-(3-allyl-6-bromo-1,3-benzothiazol-2-ylidene)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Formula: C23H20BrN5O3S2 MolecularWeight: 558.4706

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C23H20BrN5O3S2/c1-2-13-29-20-10-7-18(24)16-21(20)33-23(29)27-22(30)17-5-8-19(9-6-17)34(31,32)28(14-3-11-25)15-4-12-26/h2,5-10,16H,1,3-4,13-15H2