N-[[2,4-bis(fluoranyl)phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[2,4-bis(fluoranyl)phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[(2,4-difluorophenyl)carbamothioyl]adamantane-1-carboxamide CAS Name: N-[(2,4-difluoroanilino)-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2,4-difluorophenyl)carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[(2,4-difluorophenyl)thiocarbamoyl]adamantane-1-carboxamide Formula: C18H20F2N2OS MolecularWeight: 350.426006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F2N2OS/c19-13-1-2-15(14(20)6-13)21-17(24)22-16(23)18-7-10-3-11(8-18)5-12(4-10)9-18/h1-2,6,10-12H,3-5,7-9H2,(H2,21,22,23,24)