3-(3-methylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(3-methylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-(3-morpholinopropyl)-3-(m-tolyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(3-methylphenyl)-1-[3-(4-morpholinyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(3-methylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(3-morpholinopropyl)-3-(m-tolyl)-1-(4-pyridylmethyl)thiourea Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4OS/c1-18-4-2-5-20(16-18)23-21(27)25(17-19-6-8-22-9-7-19)11-3-10-24-12-14-26-15-13-24/h2,4-9,16H,3,10-15,17H2,1H3,(H,23,27)