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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-octan-3-yl-thiourea Openeye Name: 1-[(2-chlorophenyl)methyl]-3-(1-ethylhexyl)-1-(3-morpholinopropyl)thiourea CAS Name: 1-[(2-chlorophenyl)methyl]-1-[3-(4-morpholinyl)propyl]-3-octan-3-ylthiourea IUPAC Name: 1-[(2-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-3-octan-3-ylthiourea Traditional Name: 1-(2-chlorobenzyl)-3-(1-ethylhexyl)-1-(3-morpholinopropyl)thiourea Formula: C23H38ClN3OS MolecularWeight: 440.08532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC(=S)N(CCCN1CCOCC1)CC2=CC=CC=C2Cl

Isomeric SMILES

CCCCCC(CC)NC(=S)N(CCCN1CCOCC1)CC2=CC=CC=C2Cl

InChI

InChI=1S/C23H38ClN3OS/c1-3-5-6-11-21(4-2)25-23(29)27(19-20-10-7-8-12-22(20)24)14-9-13-26-15-17-28-18-16-26/h7-8,10,12,21H,3-6,9,11,13-19H2,1-2H3,(H,25,29)