5-[(2,5-dimethylphenyl)methyl]-11-oxidanylidene-3-piperidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-11-oxidanylidene-3-piperidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-11-oxo-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(2,5-dimethylphenyl)methyl]-11-oxo-3-[oxo(1-piperidinyl)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-11-oxo-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(2,5-dimethylbenzyl)-11-keto-3-(piperidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)N4CCCCC4)S(=O)C5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)N4CCCCC4)S(=O)C5=CC=CC=C5C2=O

InChI

InChI=1S/C28H28N2O3S/c1-19-10-11-20(2)22(16-19)18-30-24-17-21(27(31)29-14-6-3-7-15-29)12-13-26(24)34(33)25-9-5-4-8-23(25)28(30)32/h4-5,8-13,16-17H,3,6-7,14-15,18H2,1-2H3