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

Systemtic Name: 1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea Openeye Name: 1-(3-morpholinopropyl)-1-(3-pyridylmethyl)-3-(2,4,6-trimethylphenyl)thiourea CAS Name: 1-[3-(4-morpholinyl)propyl]-1-(3-pyridinylmethyl)-3-(2,4,6-trimethylphenyl)thiourea IUPAC Name: 1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)thiourea Traditional Name: 3-mesityl-1-(3-morpholinopropyl)-1-(3-pyridylmethyl)thiourea Formula: C23H32N4OS MolecularWeight: 412.59138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4OS/c1-18-14-19(2)22(20(3)15-18)25-23(29)27(17-21-6-4-7-24-16-21)9-5-8-26-10-12-28-13-11-26/h4,6-7,14-16H,5,8-13,17H2,1-3H3,(H,25,29)