methyl 2-(2-adamantylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-adamantylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(2-adamantylcarbamothioylamino)-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[(2-adamantylamino)-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-adamantylcarbamothioylamino)-5-ethylthiophene-3-carboxylate Traditional Name: 2-(2-adamantylthiocarbamoylamino)-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H26N2O2S2 MolecularWeight: 378.55194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2C3CC4CC(C3)CC2C4)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2C3CC4CC(C3)CC2C4)C(=O)OC

InChI

InChI=1S/C19H26N2O2S2/c1-3-14-9-15(18(22)23-2)17(25-14)21-19(24)20-16-12-5-10-4-11(7-12)8-13(16)6-10/h9-13,16H,3-8H2,1-2H3,(H2,20,21,24)