1-(1-adamantyl)-3-[(3-bromanyl-4-fluoranyl-phenyl)methyl]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(3-bromanyl-4-fluoranyl-phenyl)methyl]thiourea Openeye Name: 1-(1-adamantyl)-3-[(3-bromo-4-fluoro-phenyl)methyl]thiourea CAS Name: 1-(1-adamantyl)-3-[(3-bromo-4-fluorophenyl)methyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(3-bromo-4-fluorophenyl)methyl]thiourea Traditional Name: 1-(1-adamantyl)-3-(3-bromo-4-fluoro-benzyl)thiourea Formula: C18H22BrFN2S MolecularWeight: 397.348083

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC4=CC(=C(C=C4)F)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NCC4=CC(=C(C=C4)F)Br

InChI

InChI=1S/C18H22BrFN2S/c19-15-6-11(1-2-16(15)20)10-21-17(23)22-18-7-12-3-13(8-18)5-14(4-12)9-18/h1-2,6,12-14H,3-5,7-10H2,(H2,21,22,23)