2-(1-adamantyl)-N-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[2-bromanyl-4,6-bis(fluoranyl)phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(2-bromo-4,6-difluoro-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(2-bromo-4,6-difluoroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(2-bromo-4,6-difluorophenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(2-bromo-4,6-difluoro-phenyl)thiocarbamoyl]acetamide Formula: C19H21BrF2N2OS MolecularWeight: 443.348646

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=C(C=C(C=C4Br)F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC(=S)NC4=C(C=C(C=C4Br)F)F

InChI

InChI=1S/C19H21BrF2N2OS/c20-14-4-13(21)5-15(22)17(14)24-18(26)23-16(25)9-19-6-10-1-11(7-19)3-12(2-10)8-19/h4-5,10-12H,1-3,6-9H2,(H2,23,24,25,26)