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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-(3-propoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-2-(3-propoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-(3-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-(3-propoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-2-(3-propoxyphenyl)cinchoninamide Formula: C29H27N3O2S MolecularWeight: 481.60858

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C29H27N3O2S/c1-3-13-34-20-8-6-7-19(15-20)26-16-23(22-14-18(2)11-12-25(22)31-26)28(33)32-29-24(17-30)21-9-4-5-10-27(21)35-29/h6-8,11-12,14-16H,3-5,9-10,13H2,1-2H3,(H,32,33)