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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=C(C=CC(=C3C)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

InChI

InChI=1S/C28H26ClN3O3S/c1-3-35-17-8-6-7-16(13-17)22-14-20(18-11-12-21(29)15(2)25(18)31-22)27(34)32-28-24(26(30)33)19-9-4-5-10-23(19)36-28/h6-8,11-14H,3-5,9-10H2,1-2H3,(H2,30,33)(H,32,34)