ethyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylcarbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylcarbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylthiocarbamoylamino]-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)CNC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

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

InChI

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