N-(4-iodanyl-2-methyl-phenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-(4-iodo-2-methyl-phenyl)-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-(4-iodo-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-(4-iodo-2-methylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-1,2-benzothiazol-3-yl)-(4-iodo-2-methyl-phenyl)amine Formula: C14H11IN2O2S MolecularWeight: 398.21881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C14H11IN2O2S/c1-9-8-10(15)6-7-12(9)16-14-11-4-2-3-5-13(11)20(18,19)17-14/h2-8H,1H3,(H,16,17)