2-(1-adamantyl)-N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]carbamothioyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(3,5-dibromo-4-hydroxy-phenyl)carbamothioyl]acetamide CAS Name: 2-(1-adamantyl)-N-[(3,5-dibromo-4-hydroxyanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(3,5-dibromo-4-hydroxy-phenyl)thiocarbamoyl]acetamide Formula: C19H22Br2N2O2S MolecularWeight: 502.26318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22Br2N2O2S/c20-14-4-13(5-15(21)17(14)25)22-18(26)23-16(24)9-19-6-10-1-11(7-19)3-12(2-10)8-19/h4-5,10-12,25H,1-3,6-9H2,(H2,22,23,24,26)