5-ethyl-11-oxidanylidene-3-(4-phenylpiperazin-1-yl)carbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-ethyl-11-oxidanylidene-3-(4-phenylpiperazin-1-yl)carbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-ethyl-11-oxo-3-(4-phenylpiperazine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-ethyl-11-oxo-3-[oxo-(4-phenyl-1-piperazinyl)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-ethyl-11-oxo-3-(4-phenylpiperazine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-ethyl-11-keto-3-(4-phenylpiperazine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)S(=O)C5=CC=CC=C5C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)S(=O)C5=CC=CC=C5C1=O

InChI

InChI=1S/C26H25N3O3S/c1-2-29-22-18-19(12-13-24(22)33(32)23-11-7-6-10-21(23)26(29)31)25(30)28-16-14-27(15-17-28)20-8-4-3-5-9-20/h3-13,18H,2,14-17H2,1H3