5-[(2-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 5-[(2-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(2-fluorophenyl)methyl]-6,11-dioxo-N-[2-(p-tolyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-6,11-dioxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2-fluorophenyl)methyl]-N-[2-(4-methylphenyl)ethyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(2-fluorobenzyl)-6,11-diketo-N-[2-(p-tolyl)ethyl]benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C30H25FN2O3S MolecularWeight: 512.594503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F

Isomeric SMILES

CC1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F

InChI

InChI=1S/C30H25FN2O3S/c1-20-10-12-21(13-11-20)16-17-32-29(34)22-14-15-28-26(18-22)33(19-23-6-2-4-8-25(23)31)30(35)24-7-3-5-9-27(24)37(28)36/h2-15,18H,16-17,19H2,1H3,(H,32,34)