8-bromanyl-N-cyclopropyl-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-bromanyl-N-cyclopropyl-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-N-cyclopropyl-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-N-cyclopropyl-6-ethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-bromo-N-cyclopropyl-6-ethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-N-cyclopropyl-6-ethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C19H17BrN2OS MolecularWeight: 401.32008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NC3CC3)SC4=C1C=C(C=C4)Br

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NC3CC3)SC4=C1C=C(C=C4)Br

InChI

InChI=1S/C19H17BrN2OS/c1-2-15-14-10-12(20)4-8-17(14)24-18-7-3-11(9-16(18)22-15)19(23)21-13-5-6-13/h3-4,7-10,13H,2,5-6H2,1H3,(H,21,23)