ethyl 4-[(1-methylpyrazol-3-yl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(1-methylpyrazol-3-yl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(1-methylpyrazol-3-yl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(1-methyl-3-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-methylpyrazol-3-yl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(1-methylpyrazol-3-yl)methylthiocarbamoylamino]benzoic acid ethyl ester Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=NN(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=NN(C=C2)C

InChI

InChI=1S/C15H18N4O2S/c1-3-21-14(20)11-4-6-12(7-5-11)17-15(22)16-10-13-8-9-19(2)18-13/h4-9H,3,10H2,1-2H3,(H2,16,17,22)