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

Systemtic Name: 2-(4-butan-2-ylphenyl)-7-chloranyl-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-quinoline-4-carboxamide Openeye Name: 7-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-(4-sec-butylphenyl)quinoline-4-carboxamide CAS Name: 2-(4-butan-2-ylphenyl)-7-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methyl-4-quinolinecarboxamide IUPAC Name: 2-(4-butan-2-ylphenyl)-7-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-methylquinoline-4-carboxamide Traditional Name: 7-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-methyl-2-(4-sec-butylphenyl)cinchoninamide Formula: C32H32ClN3OS MolecularWeight: 542.13398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CC=C(C=C5)C(C)CC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CC=C(C=C5)C(C)CC

InChI

InChI=1S/C32H32ClN3OS/c1-5-18(3)21-8-10-22(11-9-21)28-16-25(24-13-14-27(33)19(4)30(24)35-28)31(37)36-32-26(17-34)23-12-7-20(6-2)15-29(23)38-32/h8-11,13-14,16,18,20H,5-7,12,15H2,1-4H3,(H,36,37)