N-[2-(4-methylphenyl)sulfanylethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[2-(p-tolylsulfanyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[2-(p-tolylthio)ethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C18H19NO3S MolecularWeight: 329.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H19NO3S/c1-13-2-5-15(6-3-13)23-11-8-19-18(20)14-4-7-16-17(12-14)22-10-9-21-16/h2-7,12H,8-11H2,1H3,(H,19,20)