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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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