3,4-diethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 3,4-diethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 3,4-diethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 3,4-diethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3,4-diethoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 3,4-diethoxy-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C)OCC

InChI

InChI=1S/C21H21N3O5S2/c1-4-11-24-16-9-8-15(31(22,26)27)13-19(16)30-21(24)23-20(25)14-7-10-17(28-5-2)18(12-14)29-6-3/h1,7-10,12-13H,5-6,11H2,2-3H3,(H2,22,26,27)