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

Systemtic Name: 6-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-methoxyphenyl)cinchoninamide Formula: C26H20BrN3O2S MolecularWeight: 518.4249

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C26H20BrN3O2S/c1-32-17-6-4-5-15(11-17)23-13-20(19-12-16(27)9-10-22(19)29-23)25(31)30-26-21(14-28)18-7-2-3-8-24(18)33-26/h4-6,9-13H,2-3,7-8H2,1H3,(H,30,31)