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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-octan-3-yl-thiourea Openeye Name: 3-(1-ethylhexyl)-1-[(4-methoxyphenyl)methyl]-1-(2-morpholinoethyl)thiourea CAS Name: 1-[(4-methoxyphenyl)methyl]-1-[2-(4-morpholinyl)ethyl]-3-octan-3-ylthiourea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-octan-3-ylthiourea Traditional Name: 3-(1-ethylhexyl)-1-(2-morpholinoethyl)-1-p-anisyl-thiourea Formula: C23H39N3O2S MolecularWeight: 421.63966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39N3O2S/c1-4-6-7-8-21(5-2)24-23(29)26(14-13-25-15-17-28-18-16-25)19-20-9-11-22(27-3)12-10-20/h9-12,21H,4-8,13-19H2,1-3H3,(H,24,29)