2-adamantylcarbamothioyl 2-pyridin-2-ylbutanoate

Systemtic Name: 2-adamantylcarbamothioyl 2-pyridin-2-ylbutanoate Openeye Name: 2-adamantylcarbamothioyl 2-(2-pyridyl)butanoate CAS Name: 2-(2-pyridinyl)butanoic acid [(2-adamantylamino)-sulfanylidenemethyl] ester IUPAC Name: 2-adamantylcarbamothioyl 2-pyridin-2-ylbutanoate Traditional Name: 2-(2-pyridyl)butyric acid 2-adamantylthiocarbamoyl ester Formula: C20H26N2O2S MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=N1)C(=O)OC(=S)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CCC(C1=CC=CC=N1)C(=O)OC(=S)NC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C20H26N2O2S/c1-2-16(17-5-3-4-6-21-17)19(23)24-20(25)22-18-14-8-12-7-13(10-14)11-15(18)9-12/h3-6,12-16,18H,2,7-11H2,1H3,(H,22,25)