5-(4-chlorophenyl)-N-[[2-(4-methylphenoxy)ethanoylamino]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-chlorophenyl)-N-[[2-(4-methylphenoxy)ethanoylamino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-chlorophenyl)-N-[[[2-(4-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-chlorophenyl)-N-[[[2-(4-methylphenoxy)acetyl]amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-[[[2-(4-methylphenoxy)acetyl]amino]thiocarbamoyl]-2-furamide Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl

InChI

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