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

Systemtic Name: N-(3-aminocarbonyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(5-ethyl-2-thienyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-ethyl-2-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(5-ethylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(5-ethyl-2-thienyl)cinchoninamide Formula: C27H27N3O2S2 MolecularWeight: 489.65218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)CC

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(S5)CC

InChI

InChI=1S/C27H27N3O2S2/c1-3-15-9-11-18-23(13-15)34-27(24(18)25(28)31)30-26(32)19-14-21(22-12-10-16(4-2)33-22)29-20-8-6-5-7-17(19)20/h5-8,10,12,14-15H,3-4,9,11,13H2,1-2H3,(H2,28,31)(H,30,32)