N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-bromanyl-2-(2-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-bromanyl-2-(2-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-ethoxyphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: 6-bromo-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-o-phenetyl-cinchoninamide Formula: C29H28BrN3O3S MolecularWeight: 578.51992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5OCC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5OCC

InChI

InChI=1S/C29H28BrN3O3S/c1-3-16-9-11-19-25(13-16)37-29(26(19)27(31)34)33-28(35)21-15-23(18-7-5-6-8-24(18)36-4-2)32-22-12-10-17(30)14-20(21)22/h5-8,10,12,14-16H,3-4,9,11,13H2,1-2H3,(H2,31,34)(H,33,35)