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

Systemtic Name: 1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-octan-3-yl-thiourea Openeye Name: 3-(1-ethylhexyl)-1-(3-morpholinopropyl)-1-(o-tolylmethyl)thiourea CAS Name: 1-[(2-methylphenyl)methyl]-1-[3-(4-morpholinyl)propyl]-3-octan-3-ylthiourea IUPAC Name: 1-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-octan-3-ylthiourea Traditional Name: 3-(1-ethylhexyl)-1-(2-methylbenzyl)-1-(3-morpholinopropyl)thiourea Formula: C24H41N3OS MolecularWeight: 419.66684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CCCN1CCOCC1)CC2=CC=CC=C2C

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CCCN1CCOCC1)CC2=CC=CC=C2C

InChI

InChI=1S/C24H41N3OS/c1-4-6-7-13-23(5-2)25-24(29)27(20-22-12-9-8-11-21(22)3)15-10-14-26-16-18-28-19-17-26/h8-9,11-12,23H,4-7,10,13-20H2,1-3H3,(H,25,29)