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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-bromophenyl)quinoline-4-carboxamide Openeye Name: 2-(4-bromophenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)quinoline-4-carboxamide CAS Name: 2-(4-bromophenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(4-bromophenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(4-bromophenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)cinchoninamide Formula: C25H20BrN3O2S MolecularWeight: 506.4142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br)C(=O)N

InChI

InChI=1S/C25H20BrN3O2S/c26-15-11-9-14(10-12-15)20-13-18(16-5-1-3-7-19(16)28-20)24(31)29-25-22(23(27)30)17-6-2-4-8-21(17)32-25/h1,3,5,7,9-13H,2,4,6,8H2,(H2,27,30)(H,29,31)