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

Systemtic Name: 3-(3,5-dimethylpiperidin-1-yl)carbonyl-11-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-benzyl-3-(3,5-dimethylpiperidine-1-carbonyl)-11-oxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]-11-oxo-5-(phenylmethyl)-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-benzyl-3-(3,5-dimethylpiperidine-1-carbonyl)-11-oxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-benzyl-3-(3,5-dimethylpiperidine-1-carbonyl)-11-keto-benzo[b][1,4]benzothiazepin-6-one Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)C

InChI

InChI=1S/C28H28N2O3S/c1-19-14-20(2)17-29(16-19)27(31)22-12-13-26-24(15-22)30(18-21-8-4-3-5-9-21)28(32)23-10-6-7-11-25(23)34(26)33/h3-13,15,19-20H,14,16-18H2,1-2H3