N-(1-adamantylcarbamothioyl)-2-(4-bromanylphenoxy)ethanamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-2-(4-bromanylphenoxy)ethanamide Openeye Name: N-(1-adamantylcarbamothioyl)-2-(4-bromophenoxy)acetamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-2-(4-bromophenoxy)acetamide IUPAC Name: N-(1-adamantylcarbamothioyl)-2-(4-bromophenoxy)acetamide Traditional Name: N-(1-adamantylthiocarbamoyl)-2-(4-bromophenoxy)acetamide Formula: C19H23BrN2O2S MolecularWeight: 423.36712

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=S)NC(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C19H23BrN2O2S/c20-15-1-3-16(4-2-15)24-11-17(23)21-18(25)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H2,21,22,23,25)