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

Systemtic Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-adamantyl(methyl)amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-adamantyl(methyl)carbamothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[1-adamantyl(methyl)thiocarbamoyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H26N2O2S2 MolecularWeight: 378.55194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC

InChI

InChI=1S/C19H26N2O2S2/c1-11-4-15(17(22)23-3)16(25-11)20-18(24)21(2)19-8-12-5-13(9-19)7-14(6-12)10-19/h4,12-14H,5-10H2,1-3H3,(H,20,24)