2-(4-bromophenyl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-(4-bromophenyl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-(4-bromophenyl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-(4-bromophenyl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-(4-bromophenyl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-(4-bromophenyl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C17H16BrNOS MolecularWeight: 362.28404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H16BrNOS/c18-14-8-6-13(7-9-14)12-17(20)19-10-3-11-21-16-5-2-1-4-15(16)19/h1-2,4-9H,3,10-12H2