N-butan-2-yl-5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-butan-2-yl-5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 5-[(2-chloro-4-fluoro-phenyl)methyl]-6-oxo-N-sec-butyl-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butan-2-yl-5-[(2-chloro-4-fluorophenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butan-2-yl-5-[(2-chloro-4-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 5-(2-chloro-4-fluoro-benzyl)-6-keto-N-sec-butyl-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H22ClFN2O2S MolecularWeight: 468.970783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CCC(C)NC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C25H22ClFN2O2S/c1-3-15(2)28-24(30)16-9-11-23-21(12-16)29(14-17-8-10-18(27)13-20(17)26)25(31)19-6-4-5-7-22(19)32-23/h4-13,15H,3,14H2,1-2H3,(H,28,30)