methyl 3-(1-adamantylcarbamothioylamino)pyrazine-2-carboxylate

Systemtic Name: methyl 3-(1-adamantylcarbamothioylamino)pyrazine-2-carboxylate Openeye Name: methyl 3-(1-adamantylcarbamothioylamino)pyrazine-2-carboxylate CAS Name: 3-[[(1-adamantylamino)-sulfanylidenemethyl]amino]-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 3-(1-adamantylcarbamothioylamino)pyrazine-2-carboxylate Traditional Name: 3-(1-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)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)C1=NC=CN=C1NC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

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