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

Systemtic Name: 8-chloranyl-N-[(4-chlorophenyl)methyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-N-[(4-chlorophenyl)methyl]-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-N-[(4-chlorophenyl)methyl]-6-methyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 8-chloro-N-[(4-chlorophenyl)methyl]-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-N-(4-chlorobenzyl)-6-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H16Cl2N2OS MolecularWeight: 427.34624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)Cl)SC4=C1C=C(C=C4)Cl

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)Cl)SC4=C1C=C(C=C4)Cl

InChI

InChI=1S/C22H16Cl2N2OS/c1-13-18-11-17(24)7-9-20(18)28-21-8-4-15(10-19(21)26-13)22(27)25-12-14-2-5-16(23)6-3-14/h2-11H,12H2,1H3,(H,25,27)