ethyl 5-methyl-4-phenyl-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-4-phenyl-2-[[(2-pyrazinylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(pyrazin-2-ylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NC=CN=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NC=CN=C3

InChI

InChI=1S/C19H18N4O2S2/c1-3-25-18(24)16-15(13-7-5-4-6-8-13)12(2)27-17(16)23-19(26)22-14-11-20-9-10-21-14/h4-11H,3H2,1-2H3,(H2,21,22,23,26)