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

Systemtic Name: ethyl 2-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3-methyl-4-pyrazolyl)methyl-methylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(1-ethyl-3-methylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-thiocarbamoyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H28N4O2S2 MolecularWeight: 456.62402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S2/c1-6-27-14-18(15(3)25-27)13-26(5)23(30)24-21-20(22(28)29-7-2)19(16(4)31-21)17-11-9-8-10-12-17/h8-12,14H,6-7,13H2,1-5H3,(H,24,30)