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

Systemtic Name: 1-(1-adamantyl)-3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]thiourea Openeye Name: 1-(1-adamantyl)-3-[(4-chloro-2-fluoro-phenyl)methyl]thiourea CAS Name: 1-(1-adamantyl)-3-[(4-chloro-2-fluorophenyl)methyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(4-chloro-2-fluorophenyl)methyl]thiourea Traditional Name: 1-(1-adamantyl)-3-(4-chloro-2-fluoro-benzyl)thiourea Formula: C18H22ClFN2S MolecularWeight: 352.897083

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC4=C(C=C(C=C4)Cl)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC4=C(C=C(C=C4)Cl)F

InChI

InChI=1S/C18H22ClFN2S/c19-15-2-1-14(16(20)6-15)10-21-17(23)22-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13H,3-5,7-10H2,(H2,21,22,23)