N-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(4-bromo-2-fluoro-phenyl)methylcarbamothioyl]adamantane-1-carboxamide CAS Name: N-[[(4-bromo-2-fluorophenyl)methylamino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(4-bromo-2-fluorophenyl)methylcarbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(4-bromo-2-fluoro-benzyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C19H22BrFN2OS MolecularWeight: 425.358183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrFN2OS/c20-15-2-1-14(16(21)6-15)10-22-18(25)23-17(24)19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,11-13H,3-5,7-10H2,(H2,22,23,24,25)