ethyl 2-(1-adamantylcarbonylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1-adamantylcarbonylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[[[1-adamantyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H24N2O3S2 MolecularWeight: 392.53546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H24N2O3S2/c1-2-24-16(22)14-3-4-26-15(14)20-18(25)21-17(23)19-8-11-5-12(9-19)7-13(6-11)10-19/h3-4,11-13H,2,5-10H2,1H3,(H2,20,21,23,25)