6,7,10-trimethyl-N-(3-methylbutyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6,7,10-trimethyl-N-(3-methylbutyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-isopentyl-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6,7,10-trimethyl-N-(3-methylbutyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6,7,10-trimethyl-N-(3-methylbutyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-isoamyl-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H26N2OS MolecularWeight: 366.51964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)NCCC(C)C)SC2=C(C=C1)C)C

Isomeric SMILES

CC1=C2C(=NC3=C(C=CC(=C3)C(=O)NCCC(C)C)SC2=C(C=C1)C)C

InChI

InChI=1S/C22H26N2OS/c1-13(2)10-11-23-22(25)17-8-9-19-18(12-17)24-16(5)20-14(3)6-7-15(4)21(20)26-19/h6-9,12-13H,10-11H2,1-5H3,(H,23,25)