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

Systemtic Name: 3-(4-chloranyl-3-methoxy-phenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(4-chloro-3-methoxy-phenyl)-1-(2-morpholinoethyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(4-chloro-3-methoxyphenyl)-1-[2-(4-morpholinyl)ethyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(4-chloro-3-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(4-chloro-3-methoxy-phenyl)-1-(2-morpholinoethyl)-1-(3-pyridylmethyl)thiourea Formula: C20H25ClN4O2S MolecularWeight: 420.9561

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)N(CCN2CCOCC2)CC3=CN=CC=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)N(CCN2CCOCC2)CC3=CN=CC=C3)Cl

InChI

InChI=1S/C20H25ClN4O2S/c1-26-19-13-17(4-5-18(19)21)23-20(28)25(15-16-3-2-6-22-14-16)8-7-24-9-11-27-12-10-24/h2-6,13-14H,7-12,15H2,1H3,(H,23,28)