3-(3-chloranyl-4-fluoranyl-phenyl)-1,1-dihexyl-thiourea

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-1,1-dihexyl-thiourea Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-1,1-dihexyl-thiourea CAS Name: 3-(3-chloro-4-fluorophenyl)-1,1-dihexylthiourea IUPAC Name: 3-(3-chloro-4-fluorophenyl)-1,1-dihexylthiourea Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-1,1-dihexyl-thiourea Formula: C19H30ClFN2S MolecularWeight: 372.971303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=S)NC1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CCCCCCN(CCCCCC)C(=S)NC1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C19H30ClFN2S/c1-3-5-7-9-13-23(14-10-8-6-4-2)19(24)22-16-11-12-18(21)17(20)15-16/h11-12,15H,3-10,13-14H2,1-2H3,(H,22,24)