N-[(4-methylphenyl)-thiophen-2-yl-methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[(4-methylphenyl)-thiophen-2-yl-methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[p-tolyl(2-thienyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[(4-methylphenyl)-thiophen-2-ylmethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[p-tolyl(2-thienyl)methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H19NO3S/c1-14-8-10-15(11-9-14)20(19-7-4-12-26-19)22-21(23)18-13-24-16-5-2-3-6-17(16)25-18/h2-12,18,20H,13H2,1H3,(H,22,23)