N-butyl-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-butyl-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-8-methyl-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-8-methyl-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H26N2OS MolecularWeight: 366.51964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)C)C(=N2)CCC

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)C)C(=N2)CCC

InChI

InChI=1S/C22H26N2OS/c1-4-6-12-23-22(25)16-9-11-21-19(14-16)24-18(7-5-2)17-13-15(3)8-10-20(17)26-21/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,25)