N-[(6R)-3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-bromophenyl)quinoline-4-carboxamide

Systemtic Name: N-[(6R)-3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(4-bromophenyl)quinoline-4-carboxamide Openeye Name: 2-(4-bromophenyl)-N-[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]quinoline-4-carboxamide CAS Name: 2-(4-bromophenyl)-N-[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-quinolinecarboxamide IUPAC Name: 2-(4-bromophenyl)-N-[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(4-bromophenyl)-N-[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]cinchoninamide Formula: C29H28BrN3O2S MolecularWeight: 562.52052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

Isomeric SMILES

CC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

InChI

InChI=1S/C29H28BrN3O2S/c1-29(2,3)17-10-13-20-24(14-17)36-28(25(20)26(31)34)33-27(35)21-15-23(16-8-11-18(30)12-9-16)32-22-7-5-4-6-19(21)22/h4-9,11-12,15,17H,10,13-14H2,1-3H3,(H2,31,34)(H,33,35)/t17-/m1/s1