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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-8-bromanyl-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-8-bromo-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-8-bromo-6-ethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-8-bromo-6-ethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-6-ethyl-N-piperonyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H19BrN2O3S MolecularWeight: 495.38826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)SC5=C1C=C(C=C5)Br

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)SC5=C1C=C(C=C5)Br

InChI

InChI=1S/C24H19BrN2O3S/c1-2-18-17-11-16(25)5-8-22(17)31-23-7-4-15(10-19(23)27-18)24(28)26-12-14-3-6-20-21(9-14)30-13-29-20/h3-11H,2,12-13H2,1H3,(H,26,28)