N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2-(2-methylphenoxy)ethanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2-(2-methylphenoxy)ethanamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-2-(2-methylphenoxy)acetamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]-2-(2-methylphenoxy)acetamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-2-(2-methylphenoxy)acetamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitro-phenyl]-2-(2-methylphenoxy)acetamide Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC2=CC(=CC(=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC2=CC(=CC(=C2)SC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S2/c1-14-6-2-4-8-19(14)29-13-21(26)23-15-10-16(25(27)28)12-17(11-15)30-22-24-18-7-3-5-9-20(18)31-22/h2-12H,13H2,1H3,(H,23,26)