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

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-2-(2-thienyl)cinchoninamide Formula: C24H14N4O3S2 MolecularWeight: 470.52296

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C24H14N4O3S2/c1-2-11-27-20-10-9-15(28(30)31)13-22(20)33-24(27)26-23(29)17-14-19(21-8-5-12-32-21)25-18-7-4-3-6-16(17)18/h1,3-10,12-14H,11H2