2-[furan-2-ylmethyl-[2-(4-nitrophenyl)sulfanylethanoyl]amino]-N-phenyl-ethanamide

Systemtic Name: 2-[furan-2-ylmethyl-[2-(4-nitrophenyl)sulfanylethanoyl]amino]-N-phenyl-ethanamide Openeye Name: 2-[2-furylmethyl-[2-(4-nitrophenyl)sulfanylacetyl]amino]-N-phenyl-acetamide CAS Name: 2-[2-furanylmethyl-[2-[(4-nitrophenyl)thio]-1-oxoethyl]amino]-N-phenylacetamide IUPAC Name: 2-[furan-2-ylmethyl-[2-(4-nitrophenyl)sulfanylacetyl]amino]-N-phenylacetamide Traditional Name: 2-[2-furfuryl-[2-[(4-nitrophenyl)thio]acetyl]amino]-N-phenyl-acetamide Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CN(CC2=CC=CO2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CN(CC2=CC=CO2)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5S/c25-20(22-16-5-2-1-3-6-16)14-23(13-18-7-4-12-29-18)21(26)15-30-19-10-8-17(9-11-19)24(27)28/h1-12H,13-15H2,(H,22,25)