2-methyl-N-[4-[(1-oxidanidyl-1-oxidanyl-3,5-dihydro-2H-4,1-benzothiazepin-1-ium-2-yl)carbonyl]phenyl]benzamide

Systemtic Name: 2-methyl-N-[4-[(1-oxidanidyl-1-oxidanyl-3,5-dihydro-2H-4,1-benzothiazepin-1-ium-2-yl)carbonyl]phenyl]benzamide Openeye Name: N-[4-(1-hydroxy-1-oxido-3,5-dihydro-2H-4,1-benzothiazepin-1-ium-2-carbonyl)phenyl]-2-methyl-benzamide CAS Name: N-[4-[(1-hydroxy-1-oxido-3,5-dihydro-2H-4,1-benzothiazepin-1-ium-2-yl)-oxomethyl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-(1-hydroxy-1-oxido-3,5-dihydro-2H-4,1-benzothiazepin-1-ium-2-carbonyl)phenyl]-2-methylbenzamide Traditional Name: N-[4-(1-hydroxy-1-oxido-3,5-dihydro-2H-4,1-benzothiazepin-1-ium-2-carbonyl)phenyl]-2-methyl-benzamide Formula: C24H22N2O4S MolecularWeight: 434.50748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)C3CSCC4=CC=CC=C4[N+]3(O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)C3CSCC4=CC=CC=C4[N+]3(O)[O-]

InChI

InChI=1S/C24H22N2O4S/c1-16-6-2-4-8-20(16)24(28)25-19-12-10-17(11-13-19)23(27)22-15-31-14-18-7-3-5-9-21(18)26(22,29)30/h2-13,22,29H,14-15H2,1H3,(H,25,28)