N-cycloheptyl-5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-cycloheptyl-5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cycloheptyl-5-ethyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cycloheptyl-5-ethyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cycloheptyl-5-ethyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cycloheptyl-5-ethyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H26N2O2S MolecularWeight: 394.52974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)NC3CCCCCC3)SC4=CC=CC=C4C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)NC3CCCCCC3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C23H26N2O2S/c1-2-25-19-15-16(22(26)24-17-9-5-3-4-6-10-17)13-14-21(19)28-20-12-8-7-11-18(20)23(25)27/h7-8,11-15,17H,2-6,9-10H2,1H3,(H,24,26)