N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)-2-(2-thienyl)cinchoninamide Formula: C25H17N3O3S3 MolecularWeight: 503.61578

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)S2)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)S2)CC#C

InChI

InChI=1S/C25H17N3O3S3/c1-3-12-28-21-11-10-16(34(2,30)31)14-23(21)33-25(28)27-24(29)18-15-20(22-9-6-13-32-22)26-19-8-5-4-7-17(18)19/h1,4-11,13-15H,12H2,2H3