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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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