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

Systemtic Name: ethyl 2-[(1,5-dimethylpyrazol-3-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(1,5-dimethylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(1,5-dimethyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(1,5-dimethylpyrazol-3-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(1,5-dimethylpyrazol-3-yl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NN(C(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NN(C(=C3)C)C

InChI

InChI=1S/C20H22N4O2S2/c1-4-26-19(25)16-12-15(11-14-8-6-5-7-9-14)28-18(16)22-20(27)21-17-10-13(2)24(3)23-17/h5-10,12H,4,11H2,1-3H3,(H2,21,22,23,27)