1-(1-adamantyl)-3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]thiourea Openeye Name: 1-(1-adamantyl)-3-[(2-chloro-6-fluoro-phenyl)methyl]thiourea CAS Name: 1-(1-adamantyl)-3-[(2-chloro-6-fluorophenyl)methyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(2-chloro-6-fluorophenyl)methyl]thiourea Traditional Name: 1-(1-adamantyl)-3-(2-chloro-6-fluoro-benzyl)thiourea Formula: C18H22ClFN2S MolecularWeight: 352.897083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC4=C(C=CC=C4Cl)F

InChI

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