N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloranyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloranyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-2-(2,4-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-2-(2,4-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-2-(2,4-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-2-(2,4-dimethylphenyl)cinchoninamide Formula: C29H28ClN3O2S MolecularWeight: 518.06952

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=CC=C4Cl)C5=C(C=C(C=C5)C)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=C(C=C(C=C5)C)C

InChI

InChI=1S/C29H28ClN3O2S/c1-4-17-9-11-20-24(13-17)36-29(25(20)27(31)34)33-28(35)21-14-23(18-10-8-15(2)12-16(18)3)32-26-19(21)6-5-7-22(26)30/h5-8,10,12,14,17H,4,9,11,13H2,1-3H3,(H2,31,34)(H,33,35)