1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea

Systemtic Name: 1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea Openeye Name: 1-(2-morpholinoethyl)-1-(4-pyridylmethyl)-3-(2,4,6-trimethylphenyl)thiourea CAS Name: 1-[2-(4-morpholinyl)ethyl]-1-(pyridin-4-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea IUPAC Name: 1-(2-morpholin-4-ylethyl)-1-(pyridin-4-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea Traditional Name: 3-mesityl-1-(2-morpholinoethyl)-1-(4-pyridylmethyl)thiourea Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4OS/c1-17-14-18(2)21(19(3)15-17)24-22(28)26(16-20-4-6-23-7-5-20)9-8-25-10-12-27-13-11-25/h4-7,14-15H,8-13,16H2,1-3H3,(H,24,28)