ethyl 2-[[(1-ethylpyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(1-ethylpyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(1-ethylpyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-4-pyrazolyl)methyl-methylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(1-ethylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(1-ethylpyrazol-4-yl)methyl-methyl-thiocarbamoyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CN(C)C(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)CN(C)C(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H24N4O2S2/c1-4-25-14-15(12-22-25)13-24(3)21(28)23-19-17(20(26)27-5-2)11-18(29-19)16-9-7-6-8-10-16/h6-12,14H,4-5,13H2,1-3H3,(H,23,28)