N-(3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Openeye Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-isobutylphenyl)quinoline-4-carboxamide CAS Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Traditional Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-isobutylphenyl)cinchoninamide Formula: C33H37N3O2S MolecularWeight: 539.73078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)N

InChI

InChI=1S/C33H37N3O2S/c1-19(2)16-20-10-12-21(13-11-20)27-18-25(23-8-6-7-9-26(23)35-27)31(38)36-32-29(30(34)37)24-15-14-22(33(3,4)5)17-28(24)39-32/h6-13,18-19,22H,14-17H2,1-5H3,(H2,34,37)(H,36,38)