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

Systemtic Name: 3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(3-morpholinopropyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(4-morpholinyl)propyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(4-chloro-2-methoxy-5-methyl-phenyl)-1-(3-morpholinopropyl)-1-(3-pyridylmethyl)thiourea Formula: C22H29ClN4O2S MolecularWeight: 449.00926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CCCN2CCOCC2)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=S)N(CCCN2CCOCC2)CC3=CN=CC=C3

InChI

InChI=1S/C22H29ClN4O2S/c1-17-13-20(21(28-2)14-19(17)23)25-22(30)27(16-18-5-3-6-24-15-18)8-4-7-26-9-11-29-12-10-26/h3,5-6,13-15H,4,7-12,16H2,1-2H3,(H,25,30)