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

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: N-[3-(4-piperonylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C24H25N3O5S MolecularWeight: 467.5374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)NC(=O)C5=CSCCO5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)NC(=O)C5=CSCCO5

InChI

InChI=1S/C24H25N3O5S/c28-23(22-15-33-11-10-30-22)25-19-3-1-2-18(13-19)24(29)27-8-6-26(7-9-27)14-17-4-5-20-21(12-17)32-16-31-20/h1-5,12-13,15H,6-11,14,16H2,(H,25,28)