N-(1,3-benzodioxol-5-yl)-2-[3-(2-phenoxyethanoylamino)phenyl]sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(2-phenoxyethanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[(2-phenoxyacetyl)amino]phenyl]thio]butyramide Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O5S/c1-2-23(25(29)27-18-11-12-21-22(14-18)32-16-31-21)33-20-10-6-7-17(13-20)26-24(28)15-30-19-8-4-3-5-9-19/h3-14,23H,2,15-16H2,1H3,(H,26,28)(H,27,29)