3-(5-chloranyl-2-methyl-phenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 3-(5-chloranyl-2-methyl-phenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(5-chloro-2-methyl-phenyl)-1-(3-morpholinopropyl)-1-(3-pyridylmethyl)thiourea CAS Name: 3-(5-chloro-2-methylphenyl)-1-[3-(4-morpholinyl)propyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(5-chloro-2-methylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(5-chloro-2-methyl-phenyl)-1-(3-morpholinopropyl)-1-(3-pyridylmethyl)thiourea Formula: C21H27ClN4OS MolecularWeight: 418.98328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4OS/c1-17-5-6-19(22)14-20(17)24-21(28)26(16-18-4-2-7-23-15-18)9-3-8-25-10-12-27-13-11-25/h2,4-7,14-15H,3,8-13,16H2,1H3,(H,24,28)