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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]butyramide Formula: C25H24N2O4S MolecularWeight: 448.53406

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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)CC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=CC(=C3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O4S/c1-2-23(25(29)27-19-11-12-21-22(15-19)31-16-30-21)32-20-10-6-9-18(14-20)26-24(28)13-17-7-4-3-5-8-17/h3-12,14-15,23H,2,13,16H2,1H3,(H,26,28)(H,27,29)