8-chloranyl-6-methylidene-N-[(4-methylphenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-chloranyl-6-methylidene-N-[(4-methylphenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-6-methylene-N-(p-tolylmethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-6-methylene-N-[(4-methylphenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 8-chloro-6-methylidene-N-[(4-methylphenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-N-(4-methylbenzyl)-6-methylene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H19ClN2OS MolecularWeight: 406.92776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=C(C=C(C=C4)Cl)C(=C)N3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC4=C(C=C(C=C4)Cl)C(=C)N3

InChI

InChI=1S/C23H19ClN2OS/c1-14-3-5-16(6-4-14)13-25-23(27)17-7-9-22-20(11-17)26-15(2)19-12-18(24)8-10-21(19)28-22/h3-12,26H,2,13H2,1H3,(H,25,27)