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

Systemtic Name: 2-(4-butan-2-ylphenyl)-6-chloranyl-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Openeye Name: 6-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-sec-butylphenyl)quinoline-4-carboxamide CAS Name: 2-(4-butan-2-ylphenyl)-6-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(4-butan-2-ylphenyl)-6-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 6-chloro-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-sec-butylphenyl)cinchoninamide Formula: C31H30ClN3OS MolecularWeight: 528.1074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)C(C)CC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)C(C)CC

InChI

InChI=1S/C31H30ClN3OS/c1-4-18(3)20-7-9-21(10-8-20)28-16-25(24-15-22(32)11-13-27(24)34-28)30(36)35-31-26(17-33)23-12-6-19(5-2)14-29(23)37-31/h7-11,13,15-16,18-19H,4-6,12,14H2,1-3H3,(H,35,36)