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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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