N-(1-adamantylcarbamothioyl)-3,5-bis(bromanyl)-2-methoxy-benzamide

Systemtic Name: N-(1-adamantylcarbamothioyl)-3,5-bis(bromanyl)-2-methoxy-benzamide Openeye Name: N-(1-adamantylcarbamothioyl)-3,5-dibromo-2-methoxy-benzamide CAS Name: N-[(1-adamantylamino)-sulfanylidenemethyl]-3,5-dibromo-2-methoxybenzamide IUPAC Name: N-(1-adamantylcarbamothioyl)-3,5-dibromo-2-methoxybenzamide Traditional Name: N-(1-adamantylthiocarbamoyl)-3,5-dibromo-2-methoxy-benzamide Formula: C19H22Br2N2O2S MolecularWeight: 502.26318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC23CC4CC(C2)CC(C4)C3)Br)Br

InChI

InChI=1S/C19H22Br2N2O2S/c1-25-16-14(5-13(20)6-15(16)21)17(24)22-18(26)23-19-7-10-2-11(8-19)4-12(3-10)9-19/h5-6,10-12H,2-4,7-9H2,1H3,(H2,22,23,24,26)