methyl 4-(1-adamantylmethylcarbamothioylamino)butanoate

Systemtic Name: methyl 4-(1-adamantylmethylcarbamothioylamino)butanoate Openeye Name: methyl 4-(1-adamantylmethylcarbamothioylamino)butanoate CAS Name: 4-[[(1-adamantylmethylamino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(1-adamantylmethylcarbamothioylamino)butanoate Traditional Name: 4-(1-adamantylmethylthiocarbamoylamino)butyric acid methyl ester Formula: C17H28N2O2S MolecularWeight: 324.48142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NCC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

COC(=O)CCCNC(=S)NCC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C17H28N2O2S/c1-21-15(20)3-2-4-18-16(22)19-11-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-14H,2-11H2,1H3,(H2,18,19,22)