N-(3-aminocarbonyl-6-ethyl-1-benzothiophen-2-yl)-2-(4-tert-butylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-1-benzothiophen-2-yl)-2-(4-tert-butylphenyl)quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-6-ethyl-benzothiophen-2-yl)quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-6-ethyl-1-benzothiophen-2-yl)-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-6-ethyl-1-benzothiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-(3-carbamoyl-6-ethyl-benzothiophen-2-yl)cinchoninamide Formula: C31H29N3O2S MolecularWeight: 507.64586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C(C)(C)C)C(=O)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=C(S2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C(C)(C)C)C(=O)N

InChI

InChI=1S/C31H29N3O2S/c1-5-18-10-15-22-26(16-18)37-30(27(22)28(32)35)34-29(36)23-17-25(33-24-9-7-6-8-21(23)24)19-11-13-20(14-12-19)31(2,3)4/h6-17H,5H2,1-4H3,(H2,32,35)(H,34,36)