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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloranyl-8-methyl-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methyl-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-8-methyl-2-(4-pyridyl)cinchoninamide Formula: C27H25ClN4O2S MolecularWeight: 505.031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25ClN4O2S/c1-3-15-4-5-18-22(12-15)35-27(23(18)25(29)33)32-26(34)19-13-21(16-8-10-30-11-9-16)31-24-14(2)20(28)7-6-17(19)24/h6-11,13,15H,3-5,12H2,1-2H3,(H2,29,33)(H,32,34)