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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC(C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC(C)C

InChI

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