1-[(5-methylfuran-2-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-octan-3-yl-thiourea

Systemtic Name: 1-[(5-methylfuran-2-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-octan-3-yl-thiourea Openeye Name: 3-(1-ethylhexyl)-1-[(5-methyl-2-furyl)methyl]-1-(3-morpholinopropyl)thiourea CAS Name: 1-[(5-methyl-2-furanyl)methyl]-1-[3-(4-morpholinyl)propyl]-3-octan-3-ylthiourea IUPAC Name: 1-[(5-methylfuran-2-yl)methyl]-1-(3-morpholin-4-ylpropyl)-3-octan-3-ylthiourea Traditional Name: 3-(1-ethylhexyl)-1-[(5-methyl-2-furyl)methyl]-1-(3-morpholinopropyl)thiourea Formula: C22H39N3O2S MolecularWeight: 409.62896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CCCN1CCOCC1)CC2=CC=C(O2)C

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CCCN1CCOCC1)CC2=CC=C(O2)C

InChI

InChI=1S/C22H39N3O2S/c1-4-6-7-9-20(5-2)23-22(28)25(18-21-11-10-19(3)27-21)13-8-12-24-14-16-26-17-15-24/h10-11,20H,4-9,12-18H2,1-3H3,(H,23,28)