N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-tert-butylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-tert-butylphenyl)quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)cinchoninamide Formula: C29H29N3O2S MolecularWeight: 483.62446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCC5)C(=O)N

InChI

InChI=1S/C29H29N3O2S/c1-29(2,3)18-14-12-17(13-15-18)23-16-21(19-8-4-6-10-22(19)31-23)27(34)32-28-25(26(30)33)20-9-5-7-11-24(20)35-28/h4,6,8,10,12-16H,5,7,9,11H2,1-3H3,(H2,30,33)(H,32,34)