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

Systemtic Name: N-[(6R)-3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-methylphenyl)quinoline-4-carboxamide Openeye Name: N-[(6R)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(o-tolyl)quinoline-4-carboxamide CAS Name: N-[(6R)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(6R)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-methylphenyl)quinoline-4-carboxamide Traditional Name: N-[(6R)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(o-tolyl)cinchoninamide Formula: C28H27N3O2S MolecularWeight: 469.59788

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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=CC=C5C

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5C

InChI

InChI=1S/C28H27N3O2S/c1-3-17-12-13-20-24(14-17)34-28(25(20)26(29)32)31-27(33)21-15-23(18-9-5-4-8-16(18)2)30-22-11-7-6-10-19(21)22/h4-11,15,17H,3,12-14H2,1-2H3,(H2,29,32)(H,31,33)/t17-/m1/s1