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

Systemtic Name: 3-(3-methoxy-4-methyl-phenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(3-methoxy-4-methyl-phenyl)-1-(2-morpholinoethyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(3-methoxy-4-methylphenyl)-1-[2-(4-morpholinyl)ethyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(3-methoxy-4-methylphenyl)-1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(3-methoxy-4-methyl-phenyl)-1-(2-morpholinoethyl)-1-(4-pyridylmethyl)thiourea Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CC=NC=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CC=NC=C3)OC

InChI

InChI=1S/C21H28N4O2S/c1-17-3-4-19(15-20(17)26-2)23-21(28)25(16-18-5-7-22-8-6-18)10-9-24-11-13-27-14-12-24/h3-8,15H,9-14,16H2,1-2H3,(H,23,28)