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

Systemtic Name: ethyl 2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(1-ethyl-3-methylpyrazol-4-yl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylthiocarbamoylamino]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)CNC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S2/c1-4-26-14-17(15(3)25-26)13-23-22(29)24-20-19(21(27)28-5-2)12-18(30-20)11-16-9-7-6-8-10-16/h6-10,12,14H,4-5,11,13H2,1-3H3,(H2,23,24,29)