ethyl 2-(1-adamantylcarbamothioylamino)pyridine-3-carboxylate

Systemtic Name: ethyl 2-(1-adamantylcarbamothioylamino)pyridine-3-carboxylate Openeye Name: ethyl 2-(1-adamantylcarbamothioylamino)pyridine-3-carboxylate CAS Name: 2-[[(1-adamantylamino)-sulfanylidenemethyl]amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-adamantylcarbamothioylamino)pyridine-3-carboxylate Traditional Name: 2-(1-adamantylthiocarbamoylamino)nicotinic acid ethyl ester Formula: C19H25N3O2S MolecularWeight: 359.4857

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)NC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)NC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H25N3O2S/c1-2-24-17(23)15-4-3-5-20-16(15)21-18(25)22-19-9-12-6-13(10-19)8-14(7-12)11-19/h3-5,12-14H,2,6-11H2,1H3,(H2,20,21,22,25)