5-(3-chlorophenyl)-N-[4-(propanoylcarbamothioylamino)phenyl]furan-2-carboxamide

Systemtic Name: 5-(3-chlorophenyl)-N-[4-(propanoylcarbamothioylamino)phenyl]furan-2-carboxamide Openeye Name: 5-(3-chlorophenyl)-N-[4-(propanoylcarbamothioylamino)phenyl]furan-2-carboxamide CAS Name: 5-(3-chlorophenyl)-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: 5-(3-chlorophenyl)-N-[4-(propanoylcarbamothioylamino)phenyl]furan-2-carboxamide Traditional Name: 5-(3-chlorophenyl)-N-[4-(propionylthiocarbamoylamino)phenyl]-2-furamide Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H18ClN3O3S/c1-2-19(26)25-21(29)24-16-8-6-15(7-9-16)23-20(27)18-11-10-17(28-18)13-4-3-5-14(22)12-13/h3-12H,2H2,1H3,(H,23,27)(H2,24,25,26,29)