8-bromanyl-N-[3-(diethylamino)propyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-bromanyl-N-[3-(diethylamino)propyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-N-[3-(diethylamino)propyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-N-[3-(diethylamino)propyl]-6-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-bromo-N-[3-(diethylamino)propyl]-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-N-[3-(diethylamino)propyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H26BrN3OS MolecularWeight: 460.43034

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)Br)C(=N2)C

Isomeric SMILES

CCN(CC)CCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)Br)C(=N2)C

InChI

InChI=1S/C22H26BrN3OS/c1-4-26(5-2)12-6-11-24-22(27)16-7-9-21-19(13-16)25-15(3)18-14-17(23)8-10-20(18)28-21/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,24,27)