N'-[2-(3-bromanylphenoxy)propanoyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide

Systemtic Name: N'-[2-(3-bromanylphenoxy)propanoyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: N'-[2-(3-bromophenoxy)propanoyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: N'-[2-(3-bromophenoxy)-1-oxopropyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: N'-[2-(3-bromophenoxy)propanoyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: N'-[2-(3-bromophenoxy)propanoyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C19H18BrN3O4S MolecularWeight: 464.33292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2)OC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C(=O)NNC(=O)C1=CC2=C(C=C1)SCCC(=O)N2)OC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H18BrN3O4S/c1-11(27-14-4-2-3-13(20)10-14)18(25)22-23-19(26)12-5-6-16-15(9-12)21-17(24)7-8-28-16/h2-6,9-11H,7-8H2,1H3,(H,21,24)(H,22,25)(H,23,26)