N-(3-aminocarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-propylphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-propylphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-propylphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-propylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-propylphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-propylphenyl)cinchoninamide Formula: C29H29N3O2S MolecularWeight: 483.62446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)N

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)N

InChI

InChI=1S/C29H29N3O2S/c1-2-8-18-13-15-19(16-14-18)24-17-22(20-9-6-7-11-23(20)31-24)28(34)32-29-26(27(30)33)21-10-4-3-5-12-25(21)35-29/h6-7,9,11,13-17H,2-5,8,10,12H2,1H3,(H2,30,33)(H,32,34)