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

Systemtic Name: methyl 5-methyl-4-phenyl-2-(pyrazin-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H16N4O2S2 MolecularWeight: 384.47524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=NC=CN=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=NC=CN=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C18H16N4O2S2/c1-11-14(12-6-4-3-5-7-12)15(17(23)24-2)16(26-11)22-18(25)21-13-10-19-8-9-20-13/h3-10H,1-2H3,(H2,20,21,22,25)