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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N(CCCN2CCOCC2)CC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N(CCCN2CCOCC2)CC3=CC=NC=C3

InChI

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