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

Systemtic Name: 3-(4-chloranyl-3-methyl-phenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(4-chloro-3-methyl-phenyl)-1-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(4-chloro-3-methylphenyl)-1-[3-(4-morpholinyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(4-chloro-3-methylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(4-chloro-3-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(=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=NC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4OS/c1-17-15-19(3-4-20(17)22)24-21(28)26(16-18-5-7-23-8-6-18)10-2-9-25-11-13-27-14-12-25/h3-8,15H,2,9-14,16H2,1H3,(H,24,28)