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

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]carbonyl-5-ethyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5-ethyl-11-oxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-5-ethyl-11-oxo-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5-ethyl-11-oxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5-ethyl-11-keto-benzo[b][1,4]benzothiazepin-6-one Formula: C26H24ClN3O3S MolecularWeight: 494.00506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClN3O3S/c1-2-30-22-16-18(10-11-24(22)34(33)23-9-4-3-8-21(23)26(30)32)25(31)29-14-12-28(13-15-29)20-7-5-6-19(27)17-20/h3-11,16-17H,2,12-15H2,1H3