ethyl 4-[[5-(1-adamantyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-(1-adamantyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(1-adamantyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-(1-adamantyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(1-adamantyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-(1-adamantyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CN2C(=S)OC(=N2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CN2C(=S)OC(=N2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H30N4O3S/c1-2-26-18(25)23-5-3-22(4-6-23)13-24-19(28)27-17(21-24)20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,2-13H2,1H3