2-(4-methylsulfanylphenyl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-(4-methylsulfanylphenyl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-(4-methylsulfanylphenyl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[4-(methylthio)phenyl]-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-(4-methylsulfanylphenyl)-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[4-(methylthio)phenyl]-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C19H17N3O3S3 MolecularWeight: 431.55158

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

Isomeric SMILES

CSC1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

InChI

InChI=1S/C19H17N3O3S3/c1-3-10-22-16-9-8-15(28(20,24)25)12-17(16)27-19(22)21-18(23)11-13-4-6-14(26-2)7-5-13/h1,4-9,12H,10-11H2,2H3,(H2,20,24,25)