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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloranyl-2-(2-ethoxyphenyl)-8-methyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-2-(2-ethoxyphenyl)-8-methyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-2-(2-ethoxyphenyl)-8-methyl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-2-(2-ethoxyphenyl)-8-methylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-2-o-phenetyl-cinchoninamide Formula: C28H26ClN3O3S MolecularWeight: 520.04234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

Isomeric SMILES

CCOC1=CC=CC=C1C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

InChI

InChI=1S/C28H26ClN3O3S/c1-3-35-22-10-6-4-8-17(22)21-14-19(16-12-13-20(29)15(2)25(16)31-21)27(34)32-28-24(26(30)33)18-9-5-7-11-23(18)36-28/h4,6,8,10,12-14H,3,5,7,9,11H2,1-2H3,(H2,30,33)(H,32,34)