methyl 2-(1-adamantylcarbamothioylamino)-3-methyl-butanoate

Systemtic Name: methyl 2-(1-adamantylcarbamothioylamino)-3-methyl-butanoate Openeye Name: methyl 2-(1-adamantylcarbamothioylamino)-3-methyl-butanoate CAS Name: 2-[[(1-adamantylamino)-sulfanylidenemethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-(1-adamantylcarbamothioylamino)-3-methylbutanoate Traditional Name: 2-(1-adamantylthiocarbamoylamino)-3-methyl-butyric acid methyl ester Formula: C17H28N2O2S MolecularWeight: 324.48142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2S/c1-10(2)14(15(20)21-3)18-16(22)19-17-7-11-4-12(8-17)6-13(5-11)9-17/h10-14H,4-9H2,1-3H3,(H2,18,19,22)