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

Systemtic Name: ethyl 4-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(1-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-methylpyrazol-4-yl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(1-methylpyrazol-4-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=CN(N=C2)C

Isomeric SMILES

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

InChI

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