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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)Cl)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)Cl)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C25H23ClN2OS/c1-3-4-21-20-13-16(2)5-11-23(20)30-24-12-8-18(14-22(24)28-21)25(29)27-15-17-6-9-19(26)10-7-17/h5-14H,3-4,15H2,1-2H3,(H,27,29)