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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3)C(=O)OC

InChI

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