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

Systemtic Name: 6-oxidanylidene-N-phenethyl-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-benzyl-6-oxo-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-oxo-N-phenethyl-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-benzyl-6-oxo-N-phenethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-benzyl-6-keto-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H24N2O2S MolecularWeight: 464.57806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H24N2O2S/c32-28(30-18-17-21-9-3-1-4-10-21)23-15-16-27-25(19-23)31(20-22-11-5-2-6-12-22)29(33)24-13-7-8-14-26(24)34-27/h1-16,19H,17-18,20H2,(H,30,32)