N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]phenyl]propanamide

Systemtic Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]phenyl]propanamide Openeye Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]phenyl]propanamide CAS Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]phenyl]propanamide IUPAC Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]phenyl]propanamide Traditional Name: N-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]phenyl]propionamide Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H21NO4S/c1-2-20(23)21-15-6-4-14(5-7-15)17(22)13-26-16-8-9-18-19(12-16)25-11-3-10-24-18/h4-9,12H,2-3,10-11,13H2,1H3,(H,21,23)