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

Systemtic Name: 5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-6-oxidanylidene-N-prop-2-enyl-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-allyl-5-[(2-chloro-4-fluoro-phenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 5-[(2-chloro-4-fluorophenyl)methyl]-6-oxo-N-prop-2-enyl-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: 5-[(2-chloro-4-fluorophenyl)methyl]-6-oxo-N-prop-2-enylbenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-allyl-5-(2-chloro-4-fluoro-benzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H18ClFN2O2S MolecularWeight: 452.928323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18ClFN2O2S/c1-2-11-27-23(29)15-8-10-22-20(12-15)28(14-16-7-9-17(26)13-19(16)25)24(30)18-5-3-4-6-21(18)31-22/h2-10,12-13H,1,11,14H2,(H,27,29)