ethyl 4-[[3-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[3-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[3-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[3-(1-pyrazolylmethyl)anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(pyrazol-1-ylmethyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[3-(pyrazol-1-ylmethyl)phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)CN3C=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)CN3C=CC=N3

InChI

InChI=1S/C20H20N4O2S/c1-2-26-19(25)16-7-9-17(10-8-16)22-20(27)23-18-6-3-5-15(13-18)14-24-12-4-11-21-24/h3-13H,2,14H2,1H3,(H2,22,23,27)