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

Systemtic Name: 8-bromanyl-6-ethyl-N-[(4-methoxyphenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-6-ethyl-N-[(4-methoxyphenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-6-ethyl-N-[(4-methoxyphenyl)methyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-bromo-6-ethyl-N-[(4-methoxyphenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-6-ethyl-N-p-anisyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H21BrN2O2S MolecularWeight: 481.40474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)OC)SC4=C1C=C(C=C4)Br

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)OC)SC4=C1C=C(C=C4)Br

InChI

InChI=1S/C24H21BrN2O2S/c1-3-20-19-13-17(25)7-11-22(19)30-23-10-6-16(12-21(23)27-20)24(28)26-14-15-4-8-18(29-2)9-5-15/h4-13H,3,14H2,1-2H3,(H,26,28)