N-[2-(4-methylphenyl)sulfanylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[2-(p-tolylsulfanyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[2-(p-tolylthio)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21NO3S/c1-14-3-6-16(7-4-14)24-12-9-20-19(21)15-5-8-17-18(13-15)23-11-2-10-22-17/h3-8,13H,2,9-12H2,1H3,(H,20,21)