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

Systemtic Name: 2-(4-methoxyphenyl)sulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-(4-methoxyphenyl)sulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[(4-methoxyphenyl)thio]-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-(4-methoxyphenyl)sulfanyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[(4-methoxyphenyl)thio]-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C19H17N3O4S3 MolecularWeight: 447.55098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

InChI

InChI=1S/C19H17N3O4S3/c1-3-10-22-16-9-8-15(29(20,24)25)11-17(16)28-19(22)21-18(23)12-27-14-6-4-13(26-2)5-7-14/h1,4-9,11H,10,12H2,2H3,(H2,20,24,25)