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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N4OS/c1-3-5-6-7-20(4-2)23-21(27)25(18-19-8-10-22-11-9-19)13-12-24-14-16-26-17-15-24/h8-11,20H,3-7,12-18H2,1-2H3,(H,23,27)