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

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-(3-fluoro-4-methylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(3-fluoro-4-methylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-1-(4-pyridylmethyl)thiourea Formula: C21H28FN4OS+ MolecularWeight: 403.536623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=NC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CCC[NH+]2CCOCC2)CC3=CC=NC=C3)F

InChI

InChI=1S/C21H27FN4OS/c1-17-3-4-19(15-20(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)/p+1