[2-methoxy-4-[(E)-(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenyl] adamantane-1-carboxylate

Systemtic Name: [2-methoxy-4-[(E)-(5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene)methyl]phenyl] adamantane-1-carboxylate Openeye Name: [2-methoxy-4-[(E)-(5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenyl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-methoxy-4-[(E)-(5-oxo-2-sulfanylidene-4-imidazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenyl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [4-[(E)-(5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N2)OC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)N2)OC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H24N2O4S/c1-27-18-8-12(7-16-19(25)24-21(29)23-16)2-3-17(18)28-20(26)22-9-13-4-14(10-22)6-15(5-13)11-22/h2-3,7-8,13-15H,4-6,9-11H2,1H3,(H2,23,24,25,29)/b16-7+