methyl 2-(1-adamantylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(1-adamantylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(1-adamantylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(1-adamantylamino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1-adamantylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(1-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)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H26N2O2S2/c1-24-18(23)16-14-3-2-4-15(14)26-17(16)21-19(25)22-20-8-11-5-12(9-20)7-13(6-11)10-20/h11-13H,2-10H2,1H3,(H2,21,22,25)