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

Systemtic Name: 5-(3-nitrophenyl)-N-[4-(propanoylcarbamothioylamino)phenyl]furan-2-carboxamide Openeye Name: 5-(3-nitrophenyl)-N-[4-(propanoylcarbamothioylamino)phenyl]furan-2-carboxamide CAS Name: 5-(3-nitrophenyl)-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: 5-(3-nitrophenyl)-N-[4-(propanoylcarbamothioylamino)phenyl]furan-2-carboxamide Traditional Name: 5-(3-nitrophenyl)-N-[4-(propionylthiocarbamoylamino)phenyl]-2-furamide Formula: C21H18N4O5S MolecularWeight: 438.45642

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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)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O5S/c1-2-19(26)24-21(31)23-15-8-6-14(7-9-15)22-20(27)18-11-10-17(30-18)13-4-3-5-16(12-13)25(28)29/h3-12H,2H2,1H3,(H,22,27)(H2,23,24,26,31)