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

Systemtic Name: methyl 3-(1-phenylethylcarbamothioylamino)pyrazine-2-carboxylate Openeye Name: methyl 3-(1-phenylethylcarbamothioylamino)pyrazine-2-carboxylate CAS Name: 3-[[(1-phenylethylamino)-sulfanylidenemethyl]amino]-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 3-(1-phenylethylcarbamothioylamino)pyrazine-2-carboxylate Traditional Name: 3-(1-phenylethylthiocarbamoylamino)pyrazinic acid methyl ester Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)NC2=NC=CN=C2C(=O)OC

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=S)NC2=NC=CN=C2C(=O)OC

InChI

InChI=1S/C15H16N4O2S/c1-10(11-6-4-3-5-7-11)18-15(22)19-13-12(14(20)21-2)16-8-9-17-13/h3-10H,1-2H3,(H2,17,18,19,22)