N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-methyl-2-(2-pyridyl)cinchoninamide Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=CC=N5

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=C(C=C4)C)C5=CC=CC=N5

InChI

InChI=1S/C27H26N4O2S/c1-3-16-8-9-17-23(13-16)34-27(24(17)25(28)32)31-26(33)19-14-22(21-6-4-5-11-29-21)30-20-10-7-15(2)12-18(19)20/h4-7,10-12,14,16H,3,8-9,13H2,1-2H3,(H2,28,32)(H,31,33)