methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-adamantyl(methyl)amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[1-adamantyl(methyl)thiocarbamoyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H30N2O2S2 MolecularWeight: 406.6051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O2S2/c1-5-16-12(2)27-18(17(16)19(24)25-4)22-20(26)23(3)21-9-13-6-14(10-21)8-15(7-13)11-21/h13-15H,5-11H2,1-4H3,(H,22,26)