methyl 2-[(1-ethylpyrazol-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1-ethylpyrazol-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(1-ethylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(1-ethylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1-ethylpyrazol-3-yl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O2S2/c1-3-23-10-9-16(22-23)20-19(26)21-17-15(18(24)25-2)12-14(27-17)11-13-7-5-4-6-8-13/h4-10,12H,3,11H2,1-2H3,(H2,20,21,22,26)