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

Systemtic Name: N-(2-adamantylcarbamothioyl)-3,5-bis(bromanyl)-2-methoxy-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-3,5-dibromo-2-methoxy-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-3,5-dibromo-2-methoxybenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-3,5-dibromo-2-methoxybenzamide Traditional Name: N-(2-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)NC2C3CC4CC(C3)CC2C4)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)Br)Br

InChI

InChI=1S/C19H22Br2N2O2S/c1-25-17-14(7-13(20)8-15(17)21)18(24)23-19(26)22-16-11-3-9-2-10(5-11)6-12(16)4-9/h7-12,16H,2-6H2,1H3,(H2,22,23,24,26)