N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(2-propoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(2-propoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-(2-propoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(2-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(2-propoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-(2-propoxyphenyl)cinchoninamide Formula: C31H31N3O2S MolecularWeight: 509.66174

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC3=C(C=CC=C3C)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC3=C(C=CC=C3C)C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N

InChI

InChI=1S/C31H31N3O2S/c1-4-15-36-27-12-7-6-10-23(27)26-17-24(22-11-8-9-19(3)29(22)33-26)30(35)34-31-25(18-32)21-14-13-20(5-2)16-28(21)37-31/h6-12,17,20H,4-5,13-16H2,1-3H3,(H,34,35)