ethyl 4-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-carbamothioyl]amino]benzoate CAS Name: 4-[[[(1-ethyl-3-methyl-4-pyrazolyl)methyl-methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1-ethyl-3-methylpyrazol-4-yl)methyl-methylcarbamothioyl]amino]benzoate Traditional Name: 4-[[(1-ethyl-3-methyl-pyrazol-4-yl)methyl-methyl-thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S/c1-5-22-12-15(13(3)20-22)11-21(4)18(25)19-16-9-7-14(8-10-16)17(23)24-6-2/h7-10,12H,5-6,11H2,1-4H3,(H,19,25)