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

Systemtic Name: methyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1-adamantyl)ethylcarbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[1-(1-adamantyl)ethylthiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H30N2O2S2 MolecularWeight: 418.6158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C5=C(S4)CCC5)C(=O)OC

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C5=C(S4)CCC5)C(=O)OC

InChI

InChI=1S/C22H30N2O2S2/c1-12(22-9-13-6-14(10-22)8-15(7-13)11-22)23-21(27)24-19-18(20(25)26-2)16-4-3-5-17(16)28-19/h12-15H,3-11H2,1-2H3,(H2,23,24,27)