5-[(4-methylphenyl)methyl]-6-oxidanylidene-N-(pyridin-3-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(4-methylphenyl)methyl]-6-oxidanylidene-N-(pyridin-3-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-oxo-5-(p-tolylmethyl)-N-(3-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(4-methylphenyl)methyl]-6-oxo-N-(3-pyridinylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(4-methylphenyl)methyl]-6-oxo-N-(pyridin-3-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-keto-5-(4-methylbenzyl)-N-(3-pyridylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H23N3O2S MolecularWeight: 465.56612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CN=CC=C4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)NCC4=CN=CC=C4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C28H23N3O2S/c1-19-8-10-20(11-9-19)18-31-24-15-22(27(32)30-17-21-5-4-14-29-16-21)12-13-26(24)34-25-7-3-2-6-23(25)28(31)33/h2-16H,17-18H2,1H3,(H,30,32)