1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-octan-3-yl-thiourea

Systemtic Name: 1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-octan-3-yl-thiourea Openeye Name: 3-(1-ethylhexyl)-1-[(2-fluorophenyl)methyl]-1-(2-morpholinoethyl)thiourea CAS Name: 1-[(2-fluorophenyl)methyl]-1-[2-(4-morpholinyl)ethyl]-3-octan-3-ylthiourea IUPAC Name: 1-[(2-fluorophenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-octan-3-ylthiourea Traditional Name: 3-(1-ethylhexyl)-1-(2-fluorobenzyl)-1-(2-morpholinoethyl)thiourea Formula: C22H36FN3OS MolecularWeight: 409.604143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CCN1CCOCC1)CC2=CC=CC=C2F

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CCN1CCOCC1)CC2=CC=CC=C2F

InChI

InChI=1S/C22H36FN3OS/c1-3-5-6-10-20(4-2)24-22(28)26(13-12-25-14-16-27-17-15-25)18-19-9-7-8-11-21(19)23/h7-9,11,20H,3-6,10,12-18H2,1-2H3,(H,24,28)