4-[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanylbutanoylamino]benzamide

Systemtic Name: 4-[2-[3-(2-phenoxyethanoylamino)phenyl]sulfanylbutanoylamino]benzamide Openeye Name: 4-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylbutanoylamino]benzamide CAS Name: 4-[[1-oxo-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]butyl]amino]benzamide IUPAC Name: 4-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylbutanoylamino]benzamide Traditional Name: 4-[2-[[3-[(2-phenoxyacetyl)amino]phenyl]thio]butanoylamino]benzamide Formula: C25H25N3O4S MolecularWeight: 463.5487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=CC=CC(=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H25N3O4S/c1-2-22(25(31)28-18-13-11-17(12-14-18)24(26)30)33-21-10-6-7-19(15-21)27-23(29)16-32-20-8-4-3-5-9-20/h3-15,22H,2,16H2,1H3,(H2,26,30)(H,27,29)(H,28,31)