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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=CC=C(C=C5)C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O2S/c1-15-8-11-18(12-9-15)25-17(3)23(19-6-4-5-7-21(19)30-25)27(33)31-28-24(26(29)32)20-13-10-16(2)14-22(20)34-28/h4-9,11-12,16H,10,13-14H2,1-3H3,(H2,29,32)(H,31,33)/t16-/m0/s1