N-[2-(4-chlorophenyl)ethyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-8-methyl-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-8-methyl-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-8-methyl-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H25ClN2OS MolecularWeight: 449.0075

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)Cl)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)Cl)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C26H25ClN2OS/c1-3-4-22-21-15-17(2)5-11-24(21)31-25-12-8-19(16-23(25)29-22)26(30)28-14-13-18-6-9-20(27)10-7-18/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,28,30)