N-(1,3-benzodioxol-5-yl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]butanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[[(E)-3-phenylacryloyl]amino]phenyl]thio]butyramide Formula: C26H24N2O4S MolecularWeight: 460.54476

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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)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O4S/c1-2-24(26(30)28-20-12-13-22-23(16-20)32-17-31-22)33-21-10-6-9-19(15-21)27-25(29)14-11-18-7-4-3-5-8-18/h3-16,24H,2,17H2,1H3,(H,27,29)(H,28,30)/b14-11+