dimethyl 2-(1-adamantylcarbamothioylamino)propanedioate

Systemtic Name: dimethyl 2-(1-adamantylcarbamothioylamino)propanedioate Openeye Name: dimethyl 2-(1-adamantylcarbamothioylamino)propanedioate CAS Name: 2-[[(1-adamantylamino)-sulfanylidenemethyl]amino]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(1-adamantylcarbamothioylamino)propanedioate Traditional Name: 2-(1-adamantylthiocarbamoylamino)malonic acid dimethyl ester Formula: C16H24N2O4S MolecularWeight: 340.43776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=O)OC)NC(=S)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

COC(=O)C(C(=O)OC)NC(=S)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C16H24N2O4S/c1-21-13(19)12(14(20)22-2)17-15(23)18-16-6-9-3-10(7-16)5-11(4-9)8-16/h9-12H,3-8H2,1-2H3,(H2,17,18,23)