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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7,8-dimethyl-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7,8-dimethyl-2-(3-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=C3C=CC(=C4C)C)C5=CN=CC=C5

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)C)C5=CN=CC=C5

InChI

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