methyl 3-(2-adamantylcarbamothioylamino)pyrazine-2-carboxylate

Systemtic Name: methyl 3-(2-adamantylcarbamothioylamino)pyrazine-2-carboxylate Openeye Name: methyl 3-(2-adamantylcarbamothioylamino)pyrazine-2-carboxylate CAS Name: 3-[[(2-adamantylamino)-sulfanylidenemethyl]amino]-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-adamantylcarbamothioylamino)pyrazine-2-carboxylate Traditional Name: 3-(2-adamantylthiocarbamoylamino)pyrazinic acid methyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=CN=C1NC(=S)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

COC(=O)C1=NC=CN=C1NC(=S)NC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C17H22N4O2S/c1-23-16(22)14-15(19-3-2-18-14)21-17(24)20-13-11-5-9-4-10(7-11)8-12(13)6-9/h2-3,9-13H,4-8H2,1H3,(H2,19,20,21,24)