2-(1,3-benzodioxol-5-yl)-6-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-6-chloranyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-6-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-6-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-6-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-6-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)cinchoninamide Formula: C26H18ClN3O3S MolecularWeight: 487.95742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC6=C(C=C5)OCO6)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC6=C(C=C5)OCO6)C#N

InChI

InChI=1S/C26H18ClN3O3S/c27-15-6-7-20-17(10-15)18(11-21(29-20)14-5-8-22-23(9-14)33-13-32-22)25(31)30-26-19(12-28)16-3-1-2-4-24(16)34-26/h5-11H,1-4,13H2,(H,30,31)