N-(1-adamantylcarbamothioyl)-3-bromanyl-4-methoxy-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-3-bromanyl-4-methoxy-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-3-bromo-4-methoxy-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3-bromo-4-methoxybenzamide Traditional Name: N-(1-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)NC23CC4CC(C2)CC(C4)C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)Br

InChI

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