methyl N-(1-adamantylcarbonylcarbamothioylamino)carbamate

Systemtic Name: methyl N-(1-adamantylcarbonylcarbamothioylamino)carbamate Openeye Name: methyl N-(adamantane-1-carbonylcarbamothioylamino)carbamate CAS Name: N-[[[[1-adamantyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-(adamantane-1-carbonylcarbamothioylamino)carbamate Traditional Name: N-(adamantane-1-carbonylthiocarbamoylamino)carbamic acid methyl ester Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC(=S)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

COC(=O)NNC(=S)NC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C14H21N3O3S/c1-20-13(19)17-16-12(21)15-11(18)14-5-8-2-9(6-14)4-10(3-8)7-14/h8-10H,2-7H2,1H3,(H,17,19)(H2,15,16,18,21)