N-[3-[2-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[2-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]phenyl]ethanamide Openeye Name: N-[3-[2-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]phenyl]acetamide CAS Name: N-[3-[2-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]phenyl]acetamide IUPAC Name: N-[3-[2-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]phenyl]acetamide Traditional Name: N-[3-[2-(4-bromophenyl)-2,5-dihydro-1,5-benzothiazepin-4-yl]phenyl]acetamide Formula: C23H19BrN2OS MolecularWeight: 451.37876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=CC(SC3=CC=CC=C3N2)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=CC(SC3=CC=CC=C3N2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H19BrN2OS/c1-15(27)25-19-6-4-5-17(13-19)21-14-23(16-9-11-18(24)12-10-16)28-22-8-3-2-7-20(22)26-21/h2-14,23,26H,1H3,(H,25,27)