3-(2-chloranyl-4,6-dimethyl-phenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(2-chloranyl-4,6-dimethyl-phenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(2-chloro-4,6-dimethyl-phenyl)-1-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(2-chloro-4,6-dimethylphenyl)-1-[3-(4-morpholinyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(2-chloro-4,6-dimethylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(2-chloro-4,6-dimethyl-phenyl)-1-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea Formula: C22H29ClN4OS MolecularWeight: 433.00986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN4OS/c1-17-14-18(2)21(20(23)15-17)25-22(29)27(16-19-4-6-24-7-5-19)9-3-8-26-10-12-28-13-11-26/h4-7,14-15H,3,8-13,16H2,1-2H3,(H,25,29)