1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H24ClN3OS/c22-17-5-3-6-18(15-17)23-10-12-24(13-11-23)21(26)16-25-9-4-14-27-20-8-2-1-7-19(20)25/h1-3,5-8,15H,4,9-14,16H2