methyl 6-(2-adamantylcarbamothioylamino)hexanoate

Systemtic Name: methyl 6-(2-adamantylcarbamothioylamino)hexanoate Openeye Name: methyl 6-(2-adamantylcarbamothioylamino)hexanoate CAS Name: 6-[[(2-adamantylamino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-(2-adamantylcarbamothioylamino)hexanoate Traditional Name: 6-(2-adamantylthiocarbamoylamino)hexanoic acid methyl ester Formula: C18H30N2O2S MolecularWeight: 338.508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1C2CC3CC(C2)CC1C3

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1C2CC3CC(C2)CC1C3

InChI

InChI=1S/C18H30N2O2S/c1-22-16(21)5-3-2-4-6-19-18(23)20-17-14-8-12-7-13(10-14)11-15(17)9-12/h12-15,17H,2-11H2,1H3,(H2,19,20,23)