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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-methyl-N-piperonyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)SC5=CC=CC=C15

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)SC5=CC=CC=C15

InChI

InChI=1S/C23H18N2O3S/c1-14-17-4-2-3-5-21(17)29-22-9-7-16(11-18(22)25-14)23(26)24-12-15-6-8-19-20(10-15)28-13-27-19/h2-11H,12-13H2,1H3,(H,24,26)