N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)adamantane-1-carboxamide

Systemtic Name: N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)adamantane-1-carboxamide Openeye Name: N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)adamantane-1-carboxamide CAS Name: N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-adamantanecarboxamide IUPAC Name: N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)adamantane-1-carboxamide Traditional Name: N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)adamantane-1-carboxamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H23N3O3S2/c1-2-5-24-17-4-3-16(29(22,26)27)9-18(17)28-20(24)23-19(25)21-10-13-6-14(11-21)8-15(7-13)12-21/h1,3-4,9,13-15H,5-8,10-12H2,(H2,22,26,27)