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

Systemtic Name: N-ethyl-6-oxidanylidene-N-(phenylmethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-benzyl-N-ethyl-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-ethyl-6-oxo-N-(phenylmethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-benzyl-N-ethyl-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-benzyl-N-ethyl-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H20N2O2S MolecularWeight: 388.4821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H20N2O2S/c1-2-25(15-16-8-4-3-5-9-16)23(27)17-12-13-21-19(14-17)24-22(26)18-10-6-7-11-20(18)28-21/h3-14H,2,15H2,1H3,(H,24,26)