N-[(4-chlorophenyl)methyl]-5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-5-methyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-5-methyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-keto-5-methyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C22H17ClN2O2S MolecularWeight: 408.90058

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)Cl)SC4=CC=CC=C4C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NCC3=CC=C(C=C3)Cl)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C22H17ClN2O2S/c1-25-18-12-15(21(26)24-13-14-6-9-16(23)10-7-14)8-11-20(18)28-19-5-3-2-4-17(19)22(25)27/h2-12H,13H2,1H3,(H,24,26)