1-(2-adamantyl)-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea

Systemtic Name: 1-(2-adamantyl)-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea Openeye Name: 1-(2-adamantyl)-3-(3-chloro-4-fluoro-phenyl)thiourea CAS Name: 1-(2-adamantyl)-3-(3-chloro-4-fluorophenyl)thiourea IUPAC Name: 1-(2-adamantyl)-3-(3-chloro-4-fluorophenyl)thiourea Traditional Name: 1-(2-adamantyl)-3-(3-chloro-4-fluoro-phenyl)thiourea Formula: C17H20ClFN2S MolecularWeight: 338.870503

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=S)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=S)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C17H20ClFN2S/c18-14-8-13(1-2-15(14)19)20-17(22)21-16-11-4-9-3-10(6-11)7-12(16)5-9/h1-2,8-12,16H,3-7H2,(H2,20,21,22)