N-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-5-[(4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(2-chlorobenzyl)-5-(4-fluorobenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H20ClFN2O2S MolecularWeight: 502.987003

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F)Cl

InChI

InChI=1S/C28H20ClFN2O2S/c29-23-7-3-1-5-20(23)16-31-27(33)19-11-14-26-24(15-19)32(17-18-9-12-21(30)13-10-18)28(34)22-6-2-4-8-25(22)35-26/h1-15H,16-17H2,(H,31,33)