N-[3,4-bis(fluoranyl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(3,4-difluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-(3,4-difluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-(3,4-difluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-(3,4-difluorophenyl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C16H12F2N2O2S MolecularWeight: 334.340486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)F)F)NC1=O

InChI

InChI=1S/C16H12F2N2O2S/c17-11-3-2-10(8-12(11)18)19-16(22)9-1-4-14-13(7-9)20-15(21)5-6-23-14/h1-4,7-8H,5-6H2,(H,19,22)(H,20,21)