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

Systemtic Name: 1-(1-adamantylcarbonylamino)-3-(3-chloranyl-4-fluoranyl-phenyl)thiourea Openeye Name: 1-(adamantane-1-carbonylamino)-3-(3-chloro-4-fluoro-phenyl)thiourea CAS Name: 1-[[1-adamantyl(oxo)methyl]amino]-3-(3-chloro-4-fluorophenyl)thiourea IUPAC Name: 1-(adamantane-1-carbonylamino)-3-(3-chloro-4-fluorophenyl)thiourea Traditional Name: 1-(adamantane-1-carbonylamino)-3-(3-chloro-4-fluoro-phenyl)thiourea Formula: C18H21ClFN3OS MolecularWeight: 381.895243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClFN3OS/c19-14-6-13(1-2-15(14)20)21-17(25)23-22-16(24)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2,(H,22,24)(H2,21,23,25)