3-(2,6-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(2,6-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(2,6-dimethylphenyl)-1-(3-morpholinopropyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(2,6-dimethylphenyl)-1-[3-(4-morpholinyl)propyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(2,6-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(2,6-dimethylphenyl)-1-(3-morpholinopropyl)-1-(3-pyridylmethyl)thiourea Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4OS/c1-18-6-3-7-19(2)21(18)24-22(28)26(17-20-8-4-9-23-16-20)11-5-10-25-12-14-27-15-13-25/h3-4,6-9,16H,5,10-15,17H2,1-2H3,(H,24,28)