ethyl 5-(phenylmethyl)-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[(2-pyrazinylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-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(=C1)CC2=CC=CC=C2)NC(=S)NC3=NC=CN=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NC=CN=C3

InChI

InChI=1S/C19H18N4O2S2/c1-2-25-18(24)15-11-14(10-13-6-4-3-5-7-13)27-17(15)23-19(26)22-16-12-20-8-9-21-16/h3-9,11-12H,2,10H2,1H3,(H2,21,22,23,26)