ethyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3,5-dimethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC)C

InChI

InChI=1S/C22H26N4O2S2/c1-5-26-15(4)19(14(3)25-26)23-22(29)24-20-18(21(27)28-6-2)13-17(30-20)12-16-10-8-7-9-11-16/h7-11,13H,5-6,12H2,1-4H3,(H2,23,24,29)