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

Systemtic Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cyclohexyl-N-(4-fluorobenzyl)-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C27H25FN2O2S MolecularWeight: 460.563003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CCC(CC1)N(CC2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)SC5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C27H25FN2O2S/c28-20-13-10-18(11-14-20)17-30(21-6-2-1-3-7-21)27(32)19-12-15-25-23(16-19)29-26(31)22-8-4-5-9-24(22)33-25/h4-5,8-16,21H,1-3,6-7,17H2,(H,29,31)