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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-chlorophenyl)-3,6-dimethyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-chlorophenyl)-3,6-dimethyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-chlorophenyl)-3,6-dimethyl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-chlorophenyl)-3,6-dimethylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(3-chlorophenyl)-3,6-dimethyl-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=C4C=C(C=CC4=NC(=C3C)C5=CC(=CC=C5)Cl)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C4C=C(C=CC4=NC(=C3C)C5=CC(=CC=C5)Cl)C

InChI

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