ethyl 4-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[1-(1,5-dimethyl-4-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[1-(1,5-dimethylpyrazol-4-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C17H22N4O2S MolecularWeight: 346.44718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C)C2=C(N(N=C2)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C)C2=C(N(N=C2)C)C

InChI

InChI=1S/C17H22N4O2S/c1-5-23-16(22)13-6-8-14(9-7-13)20-17(24)19-11(2)15-10-18-21(4)12(15)3/h6-11H,5H2,1-4H3,(H2,19,20,24)