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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=CS5

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=CS5

InChI

InChI=1S/C25H22ClN3O2S2/c1-2-13-5-7-15-21(10-13)33-25(22(15)23(27)30)29-24(31)17-12-19(20-4-3-9-32-20)28-18-8-6-14(26)11-16(17)18/h3-4,6,8-9,11-13H,2,5,7,10H2,1H3,(H2,27,30)(H,29,31)