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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-bromanyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: 6-bromo-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-(3-carbamoyl-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-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-isobutoxyphenyl)cinchoninamide Formula: C31H32BrN3O3S MolecularWeight: 606.57308

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=C5)OCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H32BrN3O3S/c1-4-18-8-10-22-27(12-18)39-31(28(22)29(33)36)35-30(37)24-15-26(34-25-11-9-20(32)14-23(24)25)19-6-5-7-21(13-19)38-16-17(2)3/h5-7,9,11,13-15,17-18H,4,8,10,12,16H2,1-3H3,(H2,33,36)(H,35,37)