methyl 2-(2-adamantylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-adamantylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(2-adamantylcarbamothioylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(2-adamantylamino)-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-adamantylcarbamothioylamino)-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-(2-adamantylthiocarbamoylamino)-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H28N2O2S2 MolecularWeight: 392.57852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2C3CC4CC(C3)CC2C4)C

InChI

InChI=1S/C20H28N2O2S2/c1-4-15-10(2)26-18(16(15)19(23)24-3)22-20(25)21-17-13-6-11-5-12(8-13)9-14(17)7-11/h11-14,17H,4-9H2,1-3H3,(H2,21,22,25)