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

Systemtic Name: 5-[(4-fluorophenyl)methyl]-6-oxidanylidene-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(4-fluorophenyl)methyl]-6-oxo-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(4-fluorophenyl)methyl]-6-oxo-N-phenethyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(4-fluorophenyl)methyl]-6-oxo-N-phenethylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(4-fluorobenzyl)-6-keto-N-phenethyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H23FN2O2S MolecularWeight: 482.568523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H23FN2O2S/c30-23-13-10-21(11-14-23)19-32-25-18-22(28(33)31-17-16-20-6-2-1-3-7-20)12-15-27(25)35-26-9-5-4-8-24(26)29(32)34/h1-15,18H,16-17,19H2,(H,31,33)