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

Systemtic Name: N-[4-bromanyl-3-(trifluoromethyl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[4-bromo-3-(trifluoromethyl)phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C17H12BrF3N2O2S MolecularWeight: 445.25359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrF3N2O2S/c18-12-3-2-10(8-11(12)17(19,20)21)22-16(25)9-1-4-14-13(7-9)23-15(24)5-6-26-14/h1-4,7-8H,5-6H2,(H,22,25)(H,23,24)