3-(2-methoxy-5-methyl-phenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(2-methoxy-5-methyl-phenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(2-methoxy-5-methyl-phenyl)-1-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(2-methoxy-5-methylphenyl)-1-[3-(4-morpholinyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(2-methoxy-5-methylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(2-methoxy-5-methyl-phenyl)-1-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N(CCCN2CCOCC2)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N(CCCN2CCOCC2)CC3=CC=NC=C3

InChI

InChI=1S/C22H30N4O2S/c1-18-4-5-21(27-2)20(16-18)24-22(29)26(17-19-6-8-23-9-7-19)11-3-10-25-12-14-28-15-13-25/h4-9,16H,3,10-15,17H2,1-2H3,(H,24,29)