1-(1-adamantyl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(1-adamantyl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea CAS Name: 1-(1-adamantyl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(1-adamantyl)-3-[3,5-bis(trifluoromethyl)phenyl]thiourea Formula: C19H20F6N2S MolecularWeight: 422.430919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20F6N2S/c20-18(21,22)13-4-14(19(23,24)25)6-15(5-13)26-16(28)27-17-7-10-1-11(8-17)3-12(2-10)9-17/h4-6,10-12H,1-3,7-9H2,(H2,26,27,28)