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

Systemtic Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-adamantyl(methyl)amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[1-adamantyl(methyl)thiocarbamoyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C20H28N2O2S2 MolecularWeight: 392.57852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C20H28N2O2S2/c1-11-12(2)26-17(16(11)18(23)24-4)21-19(25)22(3)20-8-13-5-14(9-20)7-15(6-13)10-20/h13-15H,5-10H2,1-4H3,(H,21,25)