ethyl 4-(pyrazin-2-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(pyrazin-2-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(pyrazin-2-ylcarbamothioylamino)benzoate CAS Name: 4-[[(2-pyrazinylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(pyrazin-2-ylcarbamothioylamino)benzoate Traditional Name: 4-(pyrazin-2-ylthiocarbamoylamino)benzoic acid ethyl ester Formula: C14H14N4O2S MolecularWeight: 302.35156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NC=CN=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NC=CN=C2

InChI

InChI=1S/C14H14N4O2S/c1-2-20-13(19)10-3-5-11(6-4-10)17-14(21)18-12-9-15-7-8-16-12/h3-9H,2H2,1H3,(H2,16,17,18,21)