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

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C25H23N3O2S/c29-24-20-8-4-5-9-22(20)31-23-11-10-19(16-21(23)26-24)25(30)28-14-12-27(13-15-28)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,26,29)