2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloranyl-4-nitro-phenyl)propanamide

Systemtic Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloranyl-4-nitro-phenyl)propanamide Openeye Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4-nitro-phenyl)propanamide CAS Name: 2-(4H-3,1-benzothiazin-2-ylthio)-N-(2-chloro-4-nitrophenyl)propanamide IUPAC Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2-chloro-4-nitrophenyl)propanamide Traditional Name: 2-(4H-3,1-benzothiazin-2-ylthio)-N-(2-chloro-4-nitro-phenyl)propionamide Formula: C17H14ClN3O3S2 MolecularWeight: 407.89436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3CS2

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC3=CC=CC=C3CS2

InChI

InChI=1S/C17H14ClN3O3S2/c1-10(26-17-20-14-5-3-2-4-11(14)9-25-17)16(22)19-15-7-6-12(21(23)24)8-13(15)18/h2-8,10H,9H2,1H3,(H,19,22)