methyl 2-(1-adamantylcarbamothioylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate

Systemtic Name: methyl 2-(1-adamantylcarbamothioylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate Openeye Name: methyl 2-(1-adamantylcarbamothioylamino)-3-tert-butoxy-propanoate CAS Name: 2-[[(1-adamantylamino)-sulfanylidenemethyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid methyl ester IUPAC Name: methyl 2-(1-adamantylcarbamothioylamino)-3-[(2-methylpropan-2-yl)oxy]propanoate Traditional Name: 2-(1-adamantylthiocarbamoylamino)-3-tert-butoxy-propionic acid methyl ester Formula: C19H32N2O3S MolecularWeight: 368.53398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O3S/c1-18(2,3)24-11-15(16(22)23-4)20-17(25)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h12-15H,5-11H2,1-4H3,(H2,20,21,25)