3-(2-ethyl-6-methyl-phenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(2-ethyl-6-methyl-phenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(2-ethyl-6-methyl-phenyl)-1-(3-morpholinopropyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(2-ethyl-6-methylphenyl)-1-[3-(4-morpholinyl)propyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(2-ethyl-6-methylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2-ethyl-6-methyl-phenyl)-1-(3-morpholinopropyl)-1-(3-pyridylmethyl)thiourea Formula: C23H32N4OS MolecularWeight: 412.59138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)N(CCCN2CCOCC2)CC3=CN=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)N(CCCN2CCOCC2)CC3=CN=CC=C3)C

InChI

InChI=1S/C23H32N4OS/c1-3-21-9-4-7-19(2)22(21)25-23(29)27(18-20-8-5-10-24-17-20)12-6-11-26-13-15-28-16-14-26/h4-5,7-10,17H,3,6,11-16,18H2,1-2H3,(H,25,29)