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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloranyl-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-2-(5-ethyl-2-thienyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-2-(5-ethyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8-chloro-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-8-chloro-2-(5-ethyl-2-thienyl)cinchoninamide Formula: C27H26ClN3O2S2 MolecularWeight: 524.09724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=C(S5)CC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=CC=C4Cl)C5=CC=C(S5)CC

InChI

InChI=1S/C27H26ClN3O2S2/c1-3-14-8-10-17-22(12-14)35-27(23(17)25(29)32)31-26(33)18-13-20(21-11-9-15(4-2)34-21)30-24-16(18)6-5-7-19(24)28/h5-7,9,11,13-14H,3-4,8,10,12H2,1-2H3,(H2,29,32)(H,31,33)