N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-8-methyl-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-methyl-N-piperonyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)SC5=C1C=C(C=C5)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)SC5=C1C=C(C=C5)C

InChI

InChI=1S/C26H24N2O3S/c1-3-4-20-19-11-16(2)5-9-24(19)32-25-10-7-18(13-21(25)28-20)26(29)27-14-17-6-8-22-23(12-17)31-15-30-22/h5-13H,3-4,14-15H2,1-2H3,(H,27,29)