N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]-2-furamide Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CO2)OC3=CC=CC=C3Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CO2)OC3=CC=CC=C3Cl

InChI

InChI=1S/C21H18ClN3O4S/c1-13(29-17-6-3-2-5-16(17)22)19(26)23-14-8-10-15(11-9-14)24-21(30)25-20(27)18-7-4-12-28-18/h2-13H,1H3,(H,23,26)(H2,24,25,27,30)