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

Systemtic Name: N-(3-methoxypropyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3-methoxypropyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-(3-methoxypropyl)-6,7,10-trimethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-methoxypropyl)-6,7,10-trimethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(3-methoxypropyl)-6,7,10-trimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H24N2O2S MolecularWeight: 368.49246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S/c1-13-6-7-14(2)20-19(13)15(3)23-17-12-16(8-9-18(17)26-20)21(24)22-10-5-11-25-4/h6-9,12H,5,10-11H2,1-4H3,(H,22,24)