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

Systemtic Name: 3-(2-chloranyl-5-methoxy-phenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 3-(2-chloro-5-methoxy-phenyl)-1-(3-morpholinopropyl)-1-(2-pyridylmethyl)thiourea CAS Name: 3-(2-chloro-5-methoxyphenyl)-1-[3-(4-morpholinyl)propyl]-1-(2-pyridinylmethyl)thiourea IUPAC Name: 3-(2-chloro-5-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(2-chloro-5-methoxy-phenyl)-1-(3-morpholinopropyl)-1-(2-pyridylmethyl)thiourea Formula: C21H27ClN4O2S MolecularWeight: 434.98268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Cl)NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=N3

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=N3

InChI

InChI=1S/C21H27ClN4O2S/c1-27-18-6-7-19(22)20(15-18)24-21(29)26(16-17-5-2-3-8-23-17)10-4-9-25-11-13-28-14-12-25/h2-3,5-8,15H,4,9-14,16H2,1H3,(H,24,29)