2-(1-adamantyl)-N-[2-[2-[(3-methylthiophen-2-yl)methylamino]ethylamino]quinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[2-[(3-methylthiophen-2-yl)methylamino]ethylamino]quinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[2-[(3-methyl-2-thienyl)methylamino]ethylamino]-5-quinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[2-[(3-methyl-2-thiophenyl)methylamino]ethylamino]-5-quinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[2-[(3-methylthiophen-2-yl)methylamino]ethylamino]quinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-[2-[(3-methyl-2-thienyl)methylamino]ethylamino]-5-quinolyl]acetamide Formula: C29H36N4OS MolecularWeight: 488.68734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNCCNC2=NC3=C(C=C2)C(=CC=C3)NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(SC=C1)CNCCNC2=NC3=C(C=C2)C(=CC=C3)NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H36N4OS/c1-19-7-10-35-26(19)18-30-8-9-31-27-6-5-23-24(32-27)3-2-4-25(23)33-28(34)17-29-14-20-11-21(15-29)13-22(12-20)16-29/h2-7,10,20-22,30H,8-9,11-18H2,1H3,(H,31,32)(H,33,34)