6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-(4-methoxyphenyl)-N-(2-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-(4-methoxyphenyl)-N-(2-pyridinylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-(4-methoxyphenyl)-N-(2-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CC=N4)SC5=CC=CC=C52

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CC=N4)SC5=CC=CC=C52

InChI

InChI=1S/C27H21N3O2S/c1-32-21-12-9-18(10-13-21)26-22-7-2-3-8-24(22)33-25-14-11-19(16-23(25)30-26)27(31)29-17-20-6-4-5-15-28-20/h2-16H,17H2,1H3,(H,29,31)