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

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C19H21NO3S MolecularWeight: 343.43994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)C2COC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)C2COC3=CC=CC=C3O2)C

InChI

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