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

Systemtic Name: ethyl 5-phenyl-2-[[1-(phenylmethyl)pyrazol-3-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[(1-benzylpyrazol-3-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 5-phenyl-2-[[[[1-(phenylmethyl)-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-benzylpyrazol-3-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(1-benzylpyrazol-3-yl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H22N4O2S2 MolecularWeight: 462.58708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=NN(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O2S2/c1-2-30-23(29)19-15-20(18-11-7-4-8-12-18)32-22(19)26-24(31)25-21-13-14-28(27-21)16-17-9-5-3-6-10-17/h3-15H,2,16H2,1H3,(H2,25,26,27,31)