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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-(2-phenylethanoylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[(2-phenylacetyl)amino]phenyl]thio]propionamide Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O4S/c1-16(24(28)26-19-10-11-21-22(14-19)30-15-29-21)31-20-9-5-8-18(13-20)25-23(27)12-17-6-3-2-4-7-17/h2-11,13-14,16H,12,15H2,1H3,(H,25,27)(H,26,28)