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

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide CAS Name: N-[4-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-6-methyl-2,3-dihydro-1,4-oxathiin-5-carboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide Traditional Name: 6-methyl-N-[4-(piperonylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiin-5-carboxamide Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SCCO1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SCCO1)C(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O5S/c1-13-19(29-9-8-26-13)21(25)23-16-5-3-15(4-6-16)20(24)22-11-14-2-7-17-18(10-14)28-12-27-17/h2-7,10H,8-9,11-12H2,1H3,(H,22,24)(H,23,25)