1-morpholin-4-yl-2-[4-[6-(6-propan-2-yl-3-thiophen-2-ylcarbonyl-pyridin-2-yl)sulfanylhexyl]piperazin-1-yl]ethanone

Systemtic Name: 1-morpholin-4-yl-2-[4-[6-(6-propan-2-yl-3-thiophen-2-ylcarbonyl-pyridin-2-yl)sulfanylhexyl]piperazin-1-yl]ethanone Openeye Name: 2-[4-[6-[[6-isopropyl-3-(thiophene-2-carbonyl)-2-pyridyl]sulfanyl]hexyl]piperazin-1-yl]-1-morpholino-ethanone CAS Name: 1-(4-morpholinyl)-2-[4-[6-[[3-[oxo(thiophen-2-yl)methyl]-6-propan-2-yl-2-pyridinyl]thio]hexyl]-1-piperazinyl]ethanone IUPAC Name: 1-morpholin-4-yl-2-[4-[6-[6-propan-2-yl-3-(thiophene-2-carbonyl)pyridin-2-yl]sulfanylhexyl]piperazin-1-yl]ethanone Traditional Name: 2-[4-[6-[[6-isopropyl-3-(2-thenoyl)-2-pyridyl]thio]hexyl]piperazino]-1-morpholino-ethanone Formula: C29H42N4O3S2 MolecularWeight: 558.79878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCN3CCN(CC3)CC(=O)N4CCOCC4

Isomeric SMILES

CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCN3CCN(CC3)CC(=O)N4CCOCC4

InChI

InChI=1S/C29H42N4O3S2/c1-23(2)25-10-9-24(28(35)26-8-7-21-37-26)29(30-25)38-20-6-4-3-5-11-31-12-14-32(15-13-31)22-27(34)33-16-18-36-19-17-33/h7-10,21,23H,3-6,11-20,22H2,1-2H3