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

Systemtic Name: 8-chloranyl-N-[(2-chlorophenyl)methyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-N-[(2-chlorophenyl)methyl]-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-N-[(2-chlorophenyl)methyl]-6-propyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-N-[(2-chlorophenyl)methyl]-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-N-(2-chlorobenzyl)-6-propyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H20Cl2N2OS MolecularWeight: 455.3994

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3Cl)SC4=C1C=C(C=C4)Cl

Isomeric SMILES

CCCC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3Cl)SC4=C1C=C(C=C4)Cl

InChI

InChI=1S/C24H20Cl2N2OS/c1-2-5-20-18-13-17(25)9-11-22(18)30-23-10-8-15(12-21(23)28-20)24(29)27-14-16-6-3-4-7-19(16)26/h3-4,6-13H,2,5,14H2,1H3,(H,27,29)