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

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

Isomeric SMILES

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

InChI

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