N-[(6R)-3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[(6R)-3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-[(6R)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(5-methyl-2-thienyl)quinoline-4-carboxamide CAS Name: N-[(6R)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[(6R)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-[(6R)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(5-methyl-2-thienyl)cinchoninamide Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)C

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)C

InChI

InChI=1S/C26H25N3O2S2/c1-3-15-9-10-17-22(12-15)33-26(23(17)24(27)30)29-25(31)18-13-20(21-11-8-14(2)32-21)28-19-7-5-4-6-16(18)19/h4-8,11,13,15H,3,9-10,12H2,1-2H3,(H2,27,30)(H,29,31)/t15-/m1/s1