ethyl 2-[(1-ethylpyrazol-3-yl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(1-ethylpyrazol-3-yl)methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(1-ethylpyrazol-3-yl)methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(1-ethylpyrazol-3-yl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1-ethylpyrazol-3-yl)methylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S2/c1-3-25-11-10-16(24-25)14-22-21(28)23-19-18(20(26)27-4-2)13-17(29-19)12-15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3,(H2,22,23,28)