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

Systemtic Name: 3-butoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 3-butoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 3-butoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3-butoxy-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 3-butoxy-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

InChI

InChI=1S/C21H21N3O4S2/c1-3-5-12-28-16-8-6-7-15(13-16)20(25)23-21-24(11-4-2)18-10-9-17(30(22,26)27)14-19(18)29-21/h2,6-10,13-14H,3,5,11-12H2,1H3,(H2,22,26,27)