methyl 2-(2-adamantylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-adamantylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(2-adamantylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(2-adamantylamino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-adamantylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(2-adamantylthiocarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H26N2O2S2 MolecularWeight: 390.56264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C20H26N2O2S2/c1-24-19(23)16-14-3-2-4-15(14)26-18(16)22-20(25)21-17-12-6-10-5-11(8-12)9-13(17)7-10/h10-13,17H,2-9H2,1H3,(H2,21,22,25)