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

Systemtic Name: methyl 2-[[(1-ethylpyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S2/c1-4-24-13-14(11-21-24)12-23(2)20(27)22-18-16(19(25)26-3)10-17(28-18)15-8-6-5-7-9-15/h5-11,13H,4,12H2,1-3H3,(H,22,27)