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

Systemtic Name: N-[(6R)-3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(5-methyl-2-thienyl)quinoline-4-carboxamide CAS Name: N-[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-[(6R)-6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(5-methyl-2-thienyl)cinchoninamide Formula: C28H29N3O2S2 MolecularWeight: 503.67876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)N

Isomeric SMILES

CC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)C[C@@H](CC5)C(C)(C)C)C(=O)N

InChI

InChI=1S/C28H29N3O2S2/c1-15-9-12-22(34-15)21-14-19(17-7-5-6-8-20(17)30-21)26(33)31-27-24(25(29)32)18-11-10-16(28(2,3)4)13-23(18)35-27/h5-9,12,14,16H,10-11,13H2,1-4H3,(H2,29,32)(H,31,33)/t16-/m1/s1