N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]furan-2-carboxamide

Systemtic Name: N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]furan-2-carboxamide Openeye Name: N-[3-[1-[(4-nitrophenyl)carbamoyl]propylsulfanyl]phenyl]furan-2-carboxamide CAS Name: N-[3-[[1-(4-nitroanilino)-1-oxobutan-2-yl]thio]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[1-(4-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]furan-2-carboxamide Traditional Name: N-[3-[1-[(4-nitrophenyl)carbamoyl]propylthio]phenyl]-2-furamide Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H19N3O5S/c1-2-19(21(26)22-14-8-10-16(11-9-14)24(27)28)30-17-6-3-5-15(13-17)23-20(25)18-7-4-12-29-18/h3-13,19H,2H2,1H3,(H,22,26)(H,23,25)