6-[4-oxidanylidene-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[2,3-b][1,5]benzothiazepin-5-one

Systemtic Name: 6-[4-oxidanylidene-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[2,3-b][1,5]benzothiazepin-5-one Openeye Name: 6-[4-oxo-4-[4-(2-pyridyl)piperazin-1-yl]butyl]pyrido[2,3-b][1,5]benzothiazepin-5-one CAS Name: 6-[4-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-5-pyrido[2,3-b][1,5]benzothiazepinone IUPAC Name: 6-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]pyrido[2,3-b][1,5]benzothiazepin-5-one Traditional Name: 6-[4-keto-4-[4-(2-pyridyl)piperazino]butyl]pyrido[2,3-b][1,5]benzothiazepin-5-one Formula: C25H25N5O2S MolecularWeight: 459.5633

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CCCN3C4=CC=CC=C4SC5=C(C3=O)C=CC=N5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CCCN3C4=CC=CC=C4SC5=C(C3=O)C=CC=N5

InChI

InChI=1S/C25H25N5O2S/c31-23(29-17-15-28(16-18-29)22-10-3-4-12-26-22)11-6-14-30-20-8-1-2-9-21(20)33-24-19(25(30)32)7-5-13-27-24/h1-5,7-10,12-13H,6,11,14-18H2