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

Systemtic Name: 6-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-isobutoxyphenyl)cinchoninamide Formula: C29H26BrN3O2S MolecularWeight: 560.50464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C#N

InChI

InChI=1S/C29H26BrN3O2S/c1-17(2)16-35-20-7-5-6-18(12-20)26-14-23(22-13-19(30)10-11-25(22)32-26)28(34)33-29-24(15-31)21-8-3-4-9-27(21)36-29/h5-7,10-14,17H,3-4,8-9,16H2,1-2H3,(H,33,34)