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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1,3-benzodioxol-5-yl)-7-chloranyl-8-methyl-quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methyl-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methylquinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-cinchoninamide Formula: C29H26ClN3O4S MolecularWeight: 548.05244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H26ClN3O4S/c1-3-15-4-6-18-24(10-15)38-29(25(18)27(31)34)33-28(35)19-12-21(16-5-9-22-23(11-16)37-13-36-22)32-26-14(2)20(30)8-7-17(19)26/h5,7-9,11-12,15H,3-4,6,10,13H2,1-2H3,(H2,31,34)(H,33,35)