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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S2/c1-5-25-13(3)16(12-22-25)23-21(28)24-19-18(20(26)27-6-2)17(14(4)29-19)15-10-8-7-9-11-15/h7-12H,5-6H2,1-4H3,(H2,23,24,28)