2-(1-adamantyl)-N-[2-[2-(thiophen-2-ylmethylamino)ethylamino]quinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[2-(thiophen-2-ylmethylamino)ethylamino]quinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[2-(2-thienylmethylamino)ethylamino]-5-quinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[2-(thiophen-2-ylmethylamino)ethylamino]-5-quinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[2-(thiophen-2-ylmethylamino)ethylamino]quinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-[2-(2-thenylamino)ethylamino]-5-quinolyl]acetamide Formula: C28H34N4OS MolecularWeight: 474.66076

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CC(=N5)NCCNCC6=CC=CS6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CC(=N5)NCCNCC6=CC=CS6

InChI

InChI=1S/C28H34N4OS/c33-27(17-28-14-19-11-20(15-28)13-21(12-19)16-28)32-25-5-1-4-24-23(25)6-7-26(31-24)30-9-8-29-18-22-3-2-10-34-22/h1-7,10,19-21,29H,8-9,11-18H2,(H,30,31)(H,32,33)