N-(2-adamantylcarbamothioyl)-3-bromanyl-4-methoxy-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-3-bromanyl-4-methoxy-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-3-bromo-4-methoxy-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-3-bromo-4-methoxybenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-3-bromo-4-methoxy-benzamide Formula: C19H23BrN2O2S MolecularWeight: 423.36712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)Br

InChI

InChI=1S/C19H23BrN2O2S/c1-24-16-3-2-12(9-15(16)20)18(23)22-19(25)21-17-13-5-10-4-11(7-13)8-14(17)6-10/h2-3,9-11,13-14,17H,4-8H2,1H3,(H2,21,22,23,25)