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

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

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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H26BrN3O2S/c1-3-16-7-9-19-24(12-16)35-28(25(19)26(30)33)32-27(34)21-14-23(17-6-4-5-15(2)11-17)31-22-10-8-18(29)13-20(21)22/h4-6,8,10-11,13-14,16H,3,7,9,12H2,1-2H3,(H2,30,33)(H,32,34)