2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(phenylmethyl)propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide Traditional Name: N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)propionamide Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21NO3S/c1-14(19(21)20-13-15-6-3-2-4-7-15)24-16-8-9-17-18(12-16)23-11-5-10-22-17/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,20,21)