N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-phenylsulfanyl-propanamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-phenylsulfanyl-propanamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-phenylsulfanyl-propanamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(phenylthio)propanamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-phenylsulfanylpropanamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(phenylthio)propionamide Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C(C)SC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)C(C)SC3=CC=CC=C3

InChI

InChI=1S/C20H23NO3S/c1-14(16-9-10-18-19(13-16)24-12-6-11-23-18)21-20(22)15(2)25-17-7-4-3-5-8-17/h3-5,7-10,13-15H,6,11-12H2,1-2H3,(H,21,22)