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

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenyl-quinoline-4-carboxamide CAS Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide Traditional Name: N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)-2-phenyl-cinchoninamide Formula: C27H19N3O3S2 MolecularWeight: 497.58806

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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=CC=C5)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=CC=C5)S2)CC#C

InChI

InChI=1S/C27H19N3O3S2/c1-3-15-30-24-14-13-19(35(2,32)33)16-25(24)34-27(30)29-26(31)21-17-23(18-9-5-4-6-10-18)28-22-12-8-7-11-20(21)22/h1,4-14,16-17H,15H2,2H3