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

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-6-ethyl-8-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-6-ethyl-8-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-6-ethyl-8-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H23ClN2OS MolecularWeight: 434.98092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)Cl)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)Cl)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C25H23ClN2OS/c1-3-21-20-14-16(2)4-10-23(20)30-24-11-7-18(15-22(24)28-21)25(29)27-13-12-17-5-8-19(26)9-6-17/h4-11,14-15H,3,12-13H2,1-2H3,(H,27,29)