N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6,8-dimethyl-2-(2-pyridyl)cinchoninamide Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C(C=C(C=C34)C)C)C5=CC=CC=N5

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C(C=C(C=C34)C)C)C5=CC=CC=N5

InChI

InChI=1S/C28H28N4O2S/c1-4-17-8-9-18-23(13-17)35-28(24(18)26(29)33)32-27(34)20-14-22(21-7-5-6-10-30-21)31-25-16(3)11-15(2)12-19(20)25/h5-7,10-12,14,17H,4,8-9,13H2,1-3H3,(H2,29,33)(H,32,34)