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

Systemtic Name: N-(3-aminocarbonyl-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-thienyl)cinchoninamide Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C27H27N3O2S2/c1-27(2,3)15-10-11-17-22(13-15)34-26(23(17)24(28)31)30-25(32)18-14-20(21-9-6-12-33-21)29-19-8-5-4-7-16(18)19/h4-9,12,14-15H,10-11,13H2,1-3H3,(H2,28,31)(H,30,32)