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

Systemtic Name: 8-bromanyl-N-[(2-chlorophenyl)methyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-bromo-N-[(2-chlorophenyl)methyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-bromo-N-[(2-chlorophenyl)methyl]-6-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-bromo-N-[(2-chlorophenyl)methyl]-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-bromo-N-(2-chlorobenzyl)-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H16BrClN2OS MolecularWeight: 471.79724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3Cl)SC4=C1C=C(C=C4)Br

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3Cl)SC4=C1C=C(C=C4)Br

InChI

InChI=1S/C22H16BrClN2OS/c1-13-17-11-16(23)7-9-20(17)28-21-8-6-14(10-19(21)26-13)22(27)25-12-15-4-2-3-5-18(15)24/h2-11H,12H2,1H3,(H,25,27)