ethyl 4-[[5-[(4-chloranylpyrazol-1-yl)methyl]furan-2-yl]carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[5-[(4-chloranylpyrazol-1-yl)methyl]furan-2-yl]carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate CAS Name: 4-[[[[[5-[(4-chloro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]carbamothioylamino]benzoate Traditional Name: 4-[[5-[(4-chloropyrazol-1-yl)methyl]-2-furoyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H17ClN4O4S MolecularWeight: 432.88068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)Cl

InChI

InChI=1S/C19H17ClN4O4S/c1-2-27-18(26)12-3-5-14(6-4-12)22-19(29)23-17(25)16-8-7-15(28-16)11-24-10-13(20)9-21-24/h3-10H,2,11H2,1H3,(H2,22,23,25,29)