1-(3-chloranyl-4-fluoranyl-phenyl)-3-hexyl-thiourea

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-hexyl-thiourea Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-hexyl-thiourea CAS Name: 1-(3-chloro-4-fluorophenyl)-3-hexylthiourea IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-hexylthiourea Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-hexyl-thiourea Formula: C13H18ClFN2S MolecularWeight: 288.811823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)NC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CCCCCCNC(=S)NC1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C13H18ClFN2S/c1-2-3-4-5-8-16-13(18)17-10-6-7-12(15)11(14)9-10/h6-7,9H,2-5,8H2,1H3,(H2,16,17,18)