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

Systemtic Name: 8-chloranyl-6-methyl-N-(3-propan-2-yloxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-N-(3-isopropoxypropyl)-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-6-methyl-N-(3-propan-2-yloxypropyl)-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-6-methyl-N-(3-propan-2-yloxypropyl)benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-N-(3-isopropoxypropyl)-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)NCCCOC(C)C)SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NCCCOC(C)C)SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C21H23ClN2O2S/c1-13(2)26-10-4-9-23-21(25)15-5-7-20-18(11-15)24-14(3)17-12-16(22)6-8-19(17)27-20/h5-8,11-13H,4,9-10H2,1-3H3,(H,23,25)