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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-isopropoxyphenyl)-8-methyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(2-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-2-(2-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-isopropoxyphenyl)-8-methyl-cinchoninamide Formula: C29H27N3O2S MolecularWeight: 481.60858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=CC=C5OC(C)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C5=CC=CC=C5OC(C)C

InChI

InChI=1S/C29H27N3O2S/c1-17(2)34-25-13-6-4-11-21(25)24-15-22(20-12-8-9-18(3)27(20)31-24)28(33)32-29-23(16-30)19-10-5-7-14-26(19)35-29/h4,6,8-9,11-13,15,17H,5,7,10,14H2,1-3H3,(H,32,33)