3-[4-(phenylmethyl)piperidin-1-yl]carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-[4-(phenylmethyl)piperidin-1-yl]carbonyl-5H-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 3-(4-benzylpiperidine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-5H-benzo[b][1,4]benzothiazepin-6-one IUPAC Name: 3-(4-benzylpiperidine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Traditional Name: 3-(4-benzylpiperidine-1-carbonyl)-5H-benzo[b][1,4]benzothiazepin-6-one Formula: C26H24N2O2S MolecularWeight: 428.54596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C26H24N2O2S/c29-25-21-8-4-5-9-23(21)31-24-11-10-20(17-22(24)27-25)26(30)28-14-12-19(13-15-28)16-18-6-2-1-3-7-18/h1-11,17,19H,12-16H2,(H,27,29)