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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-8-bromanyl-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-8-bromo-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-8-bromo-6-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-8-bromo-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-6-methyl-N-piperonyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H17BrN2O3S MolecularWeight: 481.36168

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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=C1C=C(C=C5)Br

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)SC5=C1C=C(C=C5)Br

InChI

InChI=1S/C23H17BrN2O3S/c1-13-17-10-16(24)4-7-21(17)30-22-6-3-15(9-18(22)26-13)23(27)25-11-14-2-5-19-20(8-14)29-12-28-19/h2-10H,11-12H2,1H3,(H,25,27)