2-phenyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide

Systemtic Name: 2-phenyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide Openeye Name: 2-phenyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide CAS Name: 2-phenyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-quinolinecarboxamide IUPAC Name: 2-phenyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)quinoline-4-carboxamide Traditional Name: 2-phenyl-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)cinchoninamide Formula: C26H18N4O3S2 MolecularWeight: 498.57612

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H18N4O3S2/c1-2-14-30-23-13-12-18(35(27,32)33)15-24(23)34-26(30)29-25(31)20-16-22(17-8-4-3-5-9-17)28-21-11-7-6-10-19(20)21/h1,3-13,15-16H,14H2,(H2,27,32,33)