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

Systemtic Name: 1-(1-adamantylmethyl)-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea Openeye Name: 1-(1-adamantylmethyl)-3-(3-chloro-4-fluoro-phenyl)thiourea CAS Name: 1-(1-adamantylmethyl)-3-(3-chloro-4-fluorophenyl)thiourea IUPAC Name: 1-(1-adamantylmethyl)-3-(3-chloro-4-fluorophenyl)thiourea Traditional Name: 1-(1-adamantylmethyl)-3-(3-chloro-4-fluoro-phenyl)thiourea Formula: C18H22ClFN2S MolecularWeight: 352.897083

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=S)NC4=CC(=C(C=C4)F)Cl

InChI

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