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

Systemtic Name: 6-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]pyrido[2,3-b][1,5]benzothiazepin-5-one Openeye Name: 6-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]pyrido[2,3-b][1,5]benzothiazepin-5-one CAS Name: 6-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]-5-pyrido[2,3-b][1,5]benzothiazepinone IUPAC Name: 6-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]pyrido[2,3-b][1,5]benzothiazepin-5-one Traditional Name: 6-[4-keto-4-(4-phenylpiperazino)butyl]pyrido[2,3-b][1,5]benzothiazepin-5-one Formula: C26H26N4O2S MolecularWeight: 458.57524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C4=CC=CC=C4SC5=C(C3=O)C=CC=N5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C4=CC=CC=C4SC5=C(C3=O)C=CC=N5

InChI

InChI=1S/C26H26N4O2S/c31-24(29-18-16-28(17-19-29)20-8-2-1-3-9-20)13-7-15-30-22-11-4-5-12-23(22)33-25-21(26(30)32)10-6-14-27-25/h1-6,8-12,14H,7,13,15-19H2