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

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-propylphenyl)quinoline-4-carboxamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-propylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-propylphenyl)cinchoninamide Formula: C29H27N3OS MolecularWeight: 465.60918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C#N

InChI

InChI=1S/C29H27N3OS/c1-3-6-19-10-12-20(13-11-19)26-16-23(21-7-4-5-8-25(21)31-26)28(33)32-29-24(17-30)22-14-9-18(2)15-27(22)34-29/h4-5,7-8,10-13,16,18H,3,6,9,14-15H2,1-2H3,(H,32,33)