N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,8-dimethyl-2-(p-tolyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3,8-dimethyl-2-(p-tolyl)cinchoninamide Formula: C28H27N3O2S MolecularWeight: 469.59788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=CC=C(C3=N2)C)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=CC=C(C3=N2)C)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N)C

InChI

InChI=1S/C28H27N3O2S/c1-15-11-13-18(14-12-15)25-17(3)22(20-9-6-7-16(2)24(20)30-25)27(33)31-28-23(26(29)32)19-8-4-5-10-21(19)34-28/h6-7,9,11-14H,4-5,8,10H2,1-3H3,(H2,29,32)(H,31,33)