ethyl 2-(1-adamantylcarbonylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1-adamantylcarbonylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(adamantane-1-carbonylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-adamantyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-1-carbonylcarbamothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylthiocarbamoylamino)-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C22H30N2O3S2/c1-4-16-12(3)29-18(17(16)19(25)27-5-2)23-21(28)24-20(26)22-9-13-6-14(10-22)8-15(7-13)11-22/h13-15H,4-11H2,1-3H3,(H2,23,24,26,28)