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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloranyl-2-(2,5-dimethylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-2-(2,5-dimethylphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-2-(2,5-dimethylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-2-(2,5-dimethylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-2-(2,5-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=CC(=C5)C)C

Isomeric SMILES

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

InChI

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