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

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-4-[bis(2-cyanoethyl)sulfamoyl]benzamide Formula: C25H22N6O4S2 MolecularWeight: 534.60998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=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

CC(=O)NC1=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/C25H22N6O4S2/c1-3-14-31-22-11-8-20(28-18(2)32)17-23(22)36-25(31)29-24(33)19-6-9-21(10-7-19)37(34,35)30(15-4-12-26)16-5-13-27/h1,6-11,17H,4-5,14-16H2,2H3,(H,28,32)