6,8-dimethyl-N-(3-propan-2-yloxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6,8-dimethyl-N-(3-propan-2-yloxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3-isopropoxypropyl)-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6,8-dimethyl-N-(3-propan-2-yloxypropyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 6,8-dimethyl-N-(3-propan-2-yloxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(3-isopropoxypropyl)-6,8-dimethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)NCCCOC(C)C)N=C2C

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(=O)NCCCOC(C)C)N=C2C

InChI

InChI=1S/C22H26N2O2S/c1-14(2)26-11-5-10-23-22(25)17-7-9-21-19(13-17)24-16(4)18-12-15(3)6-8-20(18)27-21/h6-9,12-14H,5,10-11H2,1-4H3,(H,23,25)