ethyl 4-[(5-aminocarbonyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(5-aminocarbonyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(5-carbamoyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(5-carbamoyl-1-ethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-carbamoyl-1-ethylpyrazol-4-yl)carbamothioylamino]benzoate Traditional Name: 4-[(5-carbamoyl-1-ethyl-pyrazol-4-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=S)NC2=CC=C(C=C2)C(=O)OCC)C(=O)N

Isomeric SMILES

CCN1C(=C(C=N1)NC(=S)NC2=CC=C(C=C2)C(=O)OCC)C(=O)N

InChI

InChI=1S/C16H19N5O3S/c1-3-21-13(14(17)22)12(9-18-21)20-16(25)19-11-7-5-10(6-8-11)15(23)24-4-2/h5-9H,3-4H2,1-2H3,(H2,17,22)(H2,19,20,25)