N-[2-[(5-oxidanylidene-4H-1,3,4-benzoxadiazepin-2-yl)methylsulfanyl]phenyl]benzamide

Systemtic Name: N-[2-[(5-oxidanylidene-4H-1,3,4-benzoxadiazepin-2-yl)methylsulfanyl]phenyl]benzamide Openeye Name: N-[2-[(5-oxo-4H-1,3,4-benzoxadiazepin-2-yl)methylsulfanyl]phenyl]benzamide CAS Name: N-[2-[(5-oxo-4H-1,3,4-benzoxadiazepin-2-yl)methylthio]phenyl]benzamide IUPAC Name: N-[2-[(5-oxo-4H-1,3,4-benzoxadiazepin-2-yl)methylsulfanyl]phenyl]benzamide Traditional Name: N-[2-[(5-keto-4H-1,3,4-benzoxadiazepin-2-yl)methylthio]phenyl]benzamide Formula: C22H17N3O3S MolecularWeight: 403.45368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SCC3=NNC(=O)C4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2SCC3=NNC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C22H17N3O3S/c26-21(15-8-2-1-3-9-15)23-17-11-5-7-13-19(17)29-14-20-24-25-22(27)16-10-4-6-12-18(16)28-20/h1-13H,14H2,(H,23,26)(H,25,27)