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

Systemtic Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-adamantyl(methyl)amino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[1-adamantyl(methyl)thiocarbamoyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C20H28N2O2S2 MolecularWeight: 392.57852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC

InChI

InChI=1S/C20H28N2O2S2/c1-4-15-8-16(18(23)24-3)17(26-15)21-19(25)22(2)20-9-12-5-13(10-20)7-14(6-12)11-20/h8,12-14H,4-7,9-11H2,1-3H3,(H,21,25)