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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloranyl-2-(5-ethylthiophen-2-yl)-8-methyl-quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-2-(5-ethyl-2-thienyl)-8-methyl-quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-2-(5-ethyl-2-thiophenyl)-8-methyl-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-chloro-2-(5-ethylthiophen-2-yl)-8-methylquinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-7-chloro-2-(5-ethyl-2-thienyl)-8-methyl-cinchoninamide Formula: C28H28ClN3O2S2 MolecularWeight: 538.12382

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=C(S5)CC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=C3C=CC(=C4C)Cl)C5=CC=C(S5)CC

InChI

InChI=1S/C28H28ClN3O2S2/c1-4-15-6-8-18-23(12-15)36-28(24(18)26(30)33)32-27(34)19-13-21(22-11-7-16(5-2)35-22)31-25-14(3)20(29)10-9-17(19)25/h7,9-11,13,15H,4-6,8,12H2,1-3H3,(H2,30,33)(H,32,34)