8-chloranyl-6-ethyl-N-[(2-methoxyphenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-chloranyl-6-ethyl-N-[(2-methoxyphenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-6-ethyl-N-[(2-methoxyphenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-6-ethyl-N-[(2-methoxyphenyl)methyl]-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-6-ethyl-N-[(2-methoxyphenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-6-ethyl-N-o-anisyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H21ClN2O2S MolecularWeight: 436.95374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3OC)SC4=C1C=C(C=C4)Cl

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3OC)SC4=C1C=C(C=C4)Cl

InChI

InChI=1S/C24H21ClN2O2S/c1-3-19-18-13-17(25)9-11-22(18)30-23-10-8-15(12-20(23)27-19)24(28)26-14-16-6-4-5-7-21(16)29-2/h4-13H,3,14H2,1-2H3,(H,26,28)