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

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloranyl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-2-(5-ethyl-2-thienyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-2-(5-ethyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-chloro-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-chloro-2-(5-ethyl-2-thienyl)cinchoninamide Formula: C25H22ClN3O2S2 MolecularWeight: 496.04408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

InChI

InChI=1S/C25H22ClN3O2S2/c1-2-14-8-10-21(32-14)19-12-17(16-11-13(26)7-9-18(16)28-19)24(31)29-25-22(23(27)30)15-5-3-4-6-20(15)33-25/h7-12H,2-6H2,1H3,(H2,27,30)(H,29,31)