3-[2-(4-bromophenyl)ethylamino]-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one

Systemtic Name: 3-[2-(4-bromophenyl)ethylamino]-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Openeye Name: 3-[2-(4-bromophenyl)ethylamino]-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one CAS Name: 3-[2-(4-bromophenyl)ethylamino]-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-propanone IUPAC Name: 3-[2-(4-bromophenyl)ethylamino]-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Traditional Name: 3-[2-(4-bromophenyl)ethylamino]-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Formula: C20H23BrN2OS MolecularWeight: 419.37842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CCNCCC3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CCNCCC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H23BrN2OS/c21-17-8-6-16(7-9-17)10-12-22-13-11-20(24)23-14-3-15-25-19-5-2-1-4-18(19)23/h1-2,4-9,22H,3,10-15H2