ethyl 3-(1-adamantylcarbamothioylamino)butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2S/c1-3-21-15(20)4-11(2)18-16(22)19-17-8-12-5-13(9-17)7-14(6-12)10-17/h11-14H,3-10H2,1-2H3,(H2,18,19,22)