3-(3-chloranyl-4-fluoranyl-phenyl)-1-(3-methylbutyl)-1-(1-pyridin-2-ylethyl)thiourea

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1-(3-methylbutyl)-1-(1-pyridin-2-ylethyl)thiourea Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-1-isopentyl-1-[1-(2-pyridyl)ethyl]thiourea CAS Name: 3-(3-chloro-4-fluorophenyl)-1-(3-methylbutyl)-1-[1-(2-pyridinyl)ethyl]thiourea IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1-(3-methylbutyl)-1-(1-pyridin-2-ylethyl)thiourea Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1-isoamyl-1-[1-(2-pyridyl)ethyl]thiourea Formula: C19H23ClFN3S MolecularWeight: 379.922423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(C)C1=CC=CC=N1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC(C)CCN(C(C)C1=CC=CC=N1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C19H23ClFN3S/c1-13(2)9-11-24(14(3)18-6-4-5-10-22-18)19(25)23-15-7-8-17(21)16(20)12-15/h4-8,10,12-14H,9,11H2,1-3H3,(H,23,25)