N-(2-methyl-4-nitro-phenyl)-2-[3-(2-phenoxyethanoylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[3-(2-phenoxyethanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-butanamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]butanamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylbutanamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-2-[[3-[(2-phenoxyacetyl)amino]phenyl]thio]butyramide Formula: C25H25N3O5S MolecularWeight: 479.5481

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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)COC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C)SC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O5S/c1-3-23(25(30)27-22-13-12-19(28(31)32)14-17(22)2)34-21-11-7-8-18(15-21)26-24(29)16-33-20-9-5-4-6-10-20/h4-15,23H,3,16H2,1-2H3,(H,26,29)(H,27,30)