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

Systemtic Name: 5-ethyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]carbonyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-ethyl-3-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]-11-oxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-ethyl-3-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]-11-oxo-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-ethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-11-oxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-ethyl-11-keto-3-[3-methyl-4-(m-tolyl)piperazine-1-carbonyl]benzo[b][1,4]benzothiazepin-6-one Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)N3CCN(C(C3)C)C4=CC=CC(=C4)C)S(=O)C5=CC=CC=C5C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)N3CCN(C(C3)C)C4=CC=CC(=C4)C)S(=O)C5=CC=CC=C5C1=O

InChI

InChI=1S/C28H29N3O3S/c1-4-30-24-17-21(12-13-26(24)35(34)25-11-6-5-10-23(25)28(30)33)27(32)29-14-15-31(20(3)18-29)22-9-7-8-19(2)16-22/h5-13,16-17,20H,4,14-15,18H2,1-3H3