N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[2-methyl-5-(4-piperonylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)NC(=O)C5=CSCCO5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)NC(=O)C5=CSCCO5

InChI

InChI=1S/C25H27N3O5S/c1-17-2-4-19(13-20(17)26-24(29)23-15-34-11-10-31-23)25(30)28-8-6-27(7-9-28)14-18-3-5-21-22(12-18)33-16-32-21/h2-5,12-13,15H,6-11,14,16H2,1H3,(H,26,29)