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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloranyl-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-2-(2,5-dimethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-2-(2,5-dimethoxyphenyl)cinchoninamide Formula: C27H24ClN3O4S MolecularWeight: 522.01516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

InChI

InChI=1S/C27H24ClN3O4S/c1-34-15-8-10-22(35-2)19(12-15)21-13-18(17-11-14(28)7-9-20(17)30-21)26(33)31-27-24(25(29)32)16-5-3-4-6-23(16)36-27/h7-13H,3-6H2,1-2H3,(H2,29,32)(H,31,33)