8-bromanyl-6-methyl-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-bromanyl-6-methyl-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-6-methyl-N-(tetrahydrofuran-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-6-methyl-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-bromo-6-methyl-N-(oxolan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-6-methyl-N-(tetrahydrofurfuryl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C20H19BrN2O2S MolecularWeight: 431.34606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)NCC3CCCO3)SC4=C1C=C(C=C4)Br

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NCC3CCCO3)SC4=C1C=C(C=C4)Br

InChI

InChI=1S/C20H19BrN2O2S/c1-12-16-10-14(21)5-7-18(16)26-19-6-4-13(9-17(19)23-12)20(24)22-11-15-3-2-8-25-15/h4-7,9-10,15H,2-3,8,11H2,1H3,(H,22,24)