(E)-1-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)-4-oxidanyl-but-2-en-1-one

Systemtic Name: (E)-1-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)-4-oxidanyl-but-2-en-1-one Openeye Name: (E)-1-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)-4-hydroxy-but-2-en-1-one CAS Name: (E)-1-[4-(6-benzo[b][1,4]benzothiazepinyl)-1-piperazinyl]-4-hydroxy-2-buten-1-one IUPAC Name: (E)-1-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)-4-hydroxybut-2-en-1-one Traditional Name: (E)-1-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazino)-4-hydroxy-but-2-en-1-one Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3SC4=CC=CC=C42)C(=O)C=CCO

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3SC4=CC=CC=C42)C(=O)/C=C/CO

InChI

InChI=1S/C21H21N3O2S/c25-15-5-10-20(26)23-11-13-24(14-12-23)21-16-6-1-3-8-18(16)27-19-9-4-2-7-17(19)22-21/h1-10,25H,11-15H2/b10-5+