5-[(4-fluorophenyl)methyl]-11,11-bis(oxidanylidene)-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(4-fluorophenyl)methyl]-11,11-bis(oxidanylidene)-3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methyl]-11,11-dioxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(4-fluorophenyl)methyl]-11,11-dioxo-3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-5-[(4-fluorophenyl)methyl]-11,11-dioxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-5-(4-fluorobenzyl)-11,11-diketo-benzo[b][1,4]benzothiazepin-6-one Formula: C32H28FN3O4S MolecularWeight: 569.645823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)S(=O)(=O)C5=CC=CC=C5C(=O)N4CC6=CC=C(C=C6)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)S(=O)(=O)C5=CC=CC=C5C(=O)N4CC6=CC=C(C=C6)F

InChI

InChI=1S/C32H28FN3O4S/c33-26-13-10-24(11-14-26)22-36-28-20-25(12-15-30(28)41(39,40)29-9-5-4-8-27(29)32(36)38)31(37)35-18-16-34(17-19-35)21-23-6-2-1-3-7-23/h1-15,20H,16-19,21-22H2