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

Systemtic Name: N-[3-[1-[(2-methyl-4-nitro-phenyl)amino]-1-oxidanylidene-butan-2-yl]sulfanylphenyl]furan-2-carboxamide Openeye Name: N-[3-[1-[(2-methyl-4-nitro-phenyl)carbamoyl]propylsulfanyl]phenyl]furan-2-carboxamide CAS Name: N-[3-[[1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]thio]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]furan-2-carboxamide Traditional Name: N-[3-[1-[(2-methyl-4-nitro-phenyl)carbamoyl]propylthio]phenyl]-2-furamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5S/c1-3-20(22(27)24-18-10-9-16(25(28)29)12-14(18)2)31-17-7-4-6-15(13-17)23-21(26)19-8-5-11-30-19/h4-13,20H,3H2,1-2H3,(H,23,26)(H,24,27)