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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(phenylmethylsulfanyl)phenyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylphenyl)propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(phenylmethylthio)phenyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(2-benzylsulfanylphenyl)propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[2-(benzylthio)phenyl]propionamide Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3SCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)NC3=CC=CC=C3SCC4=CC=CC=C4

InChI

InChI=1S/C23H21NO3S/c25-23(13-11-17-10-12-20-21(14-17)27-16-26-20)24-19-8-4-5-9-22(19)28-15-18-6-2-1-3-7-18/h1-10,12,14H,11,13,15-16H2,(H,24,25)