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

Systemtic Name: 3-methyl-N-[2-[(5-oxidanylidene-4H-1,3,4-benzoxadiazepin-2-yl)methylsulfanyl]phenyl]benzamide Openeye Name: 3-methyl-N-[2-[(5-oxo-4H-1,3,4-benzoxadiazepin-2-yl)methylsulfanyl]phenyl]benzamide CAS Name: 3-methyl-N-[2-[(5-oxo-4H-1,3,4-benzoxadiazepin-2-yl)methylthio]phenyl]benzamide IUPAC Name: 3-methyl-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]-3-methyl-benzamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2SCC3=NNC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2SCC3=NNC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C23H19N3O3S/c1-15-7-6-8-16(13-15)22(27)24-18-10-3-5-12-20(18)30-14-21-25-26-23(28)17-9-2-4-11-19(17)29-21/h2-13H,14H2,1H3,(H,24,27)(H,26,28)