6-bromanyl-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: 6-bromo-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-isobutoxyphenyl)cinchoninamide Formula: C31H30BrN3O2S MolecularWeight: 588.5578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H30BrN3O2S/c1-4-19-8-10-23-26(16-33)31(38-29(23)12-19)35-30(36)25-15-28(34-27-11-9-21(32)14-24(25)27)20-6-5-7-22(13-20)37-17-18(2)3/h5-7,9,11,13-15,18-19H,4,8,10,12,17H2,1-3H3,(H,35,36)