2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-N-(2-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C17H16N4O5S MolecularWeight: 388.39774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CN(C)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)CN(C)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H16N4O5S/c1-11-13(7-5-8-14(11)21(23)24)18-16(22)10-20(2)17-12-6-3-4-9-15(12)27(25,26)19-17/h3-9H,10H2,1-2H3,(H,18,22)