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

Systemtic Name: 1-(1-adamantyl)-3-[(E)-(2-chloranyl-6-fluoranyl-phenyl)methylideneamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(E)-(2-chloro-6-fluoro-phenyl)methyleneamino]thiourea CAS Name: 1-(1-adamantyl)-3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[(E)-(2-chloro-6-fluoro-benzylidene)amino]thiourea Formula: C18H21ClFN3S MolecularWeight: 365.895843

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)N/N=C/C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C18H21ClFN3S/c19-15-2-1-3-16(20)14(15)10-21-23-17(24)22-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,10-13H,4-9H2,(H2,22,23,24)/b21-10+