ethyl 4-[(5-phenyl-1H-pyrazol-3-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(5-phenyl-1H-pyrazol-3-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(5-phenyl-1H-pyrazol-3-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(5-phenyl-1H-pyrazol-3-yl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-phenyl-1H-pyrazol-3-yl)carbamothioylamino]benzoate Traditional Name: 4-[(5-phenyl-1H-pyrazol-3-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NNC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NNC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H18N4O2S/c1-2-25-18(24)14-8-10-15(11-9-14)20-19(26)21-17-12-16(22-23-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H3,20,21,22,23,26)