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

Systemtic Name: N-(3-aminocarbonyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-bromophenyl)quinoline-4-carboxamide Openeye Name: 2-(4-bromophenyl)-N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)quinoline-4-carboxamide CAS Name: 2-(4-bromophenyl)-N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(4-bromophenyl)-N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(4-bromophenyl)-N-(3-carbamoyl-6-propyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)cinchoninamide Formula: C28H26BrN3O2S MolecularWeight: 548.49394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

Isomeric SMILES

CCCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

InChI

InChI=1S/C28H26BrN3O2S/c1-2-5-16-8-13-20-24(14-16)35-28(25(20)26(30)33)32-27(34)21-15-23(17-9-11-18(29)12-10-17)31-22-7-4-3-6-19(21)22/h3-4,6-7,9-12,15-16H,2,5,8,13-14H2,1H3,(H2,30,33)(H,32,34)