6-oxidanylidene-N,5-bis(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-oxidanylidene-N,5-bis(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N,5-dibenzyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N,5-bis(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N,5-dibenzyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N,5-dibenzyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H22N2O2S MolecularWeight: 450.55148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C28H22N2O2S/c31-27(29-18-20-9-3-1-4-10-20)22-15-16-26-24(17-22)30(19-21-11-5-2-6-12-21)28(32)23-13-7-8-14-25(23)33-26/h1-17H,18-19H2,(H,29,31)