methyl 3-(1-adamantylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: methyl 3-(1-adamantylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: methyl 3-(1-adamantylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 3-[[(1-adamantylamino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(1-adamantylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 3-(1-adamantylthiocarbamoylamino)thiophene-2-carboxylic acid methyl ester Formula: C17H22N2O2S2 MolecularWeight: 350.49878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H22N2O2S2/c1-21-15(20)14-13(2-3-23-14)18-16(22)19-17-7-10-4-11(8-17)6-12(5-10)9-17/h2-3,10-12H,4-9H2,1H3,(H2,18,19,22)