3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C24H20ClN3O2S MolecularWeight: 449.9525

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C24H20ClN3O2S/c25-17-4-3-5-18(15-17)27-10-12-28(13-11-27)24(30)16-8-9-22-20(14-16)26-23(29)19-6-1-2-7-21(19)31-22/h1-9,14-15H,10-13H2,(H,26,29)