1-(2-morpholin-4-ylethyl)-3-octan-3-yl-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-(2-morpholin-4-ylethyl)-3-octan-3-yl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(1-ethylhexyl)-1-(2-morpholinoethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[2-(4-morpholinyl)ethyl]-3-octan-3-yl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(2-morpholin-4-ylethyl)-3-octan-3-yl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(1-ethylhexyl)-1-(2-morpholinoethyl)-1-(3-pyridylmethyl)thiourea Formula: C21H36N4OS MolecularWeight: 392.60174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CCN1CCOCC1)CC2=CN=CC=C2

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CCN1CCOCC1)CC2=CN=CC=C2

InChI

InChI=1S/C21H36N4OS/c1-3-5-6-9-20(4-2)23-21(27)25(18-19-8-7-10-22-17-19)12-11-24-13-15-26-16-14-24/h7-8,10,17,20H,3-6,9,11-16,18H2,1-2H3,(H,23,27)