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

Systemtic Name: ethyl 2-[(5-aminocarbonyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-carbamoyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(5-carbamoyl-1-ethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(5-carbamoyl-1-ethyl-pyrazol-4-yl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3S2/c1-3-25-16(17(21)26)14(11-22-25)23-20(29)24-18-13(19(27)28-4-2)10-15(30-18)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H2,21,26)(H2,23,24,29)