N-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[3-(piperonylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC=C(O1)C(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CSC=C(O1)C(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O5S/c23-19(21-10-13-4-5-16-17(8-13)27-12-26-16)14-2-1-3-15(9-14)22-20(24)18-11-28-7-6-25-18/h1-5,8-9,11H,6-7,10,12H2,(H,21,23)(H,22,24)