N-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)-11-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)-11-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)-11-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)-11-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-6-(4-fluorophenyl)-11-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-(3-chlorobenzyl)-6-(4-fluorophenyl)-11-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H18ClFN2O2S MolecularWeight: 488.960423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC3=C(S2=O)C=CC(=C3)C(=O)NCC4=CC(=CC=C4)Cl)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC3=C(S2=O)C=CC(=C3)C(=O)NCC4=CC(=CC=C4)Cl)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H18ClFN2O2S/c28-20-5-3-4-17(14-20)16-30-27(32)19-10-13-25-23(15-19)31-26(18-8-11-21(29)12-9-18)22-6-1-2-7-24(22)34(25)33/h1-15H,16H2,(H,30,32)