N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(3-nitro-4-oxidanyl-phenyl)ethanamide

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2-(3-nitro-4-oxidanyl-phenyl)ethanamide Openeye Name: 2-(4-hydroxy-3-nitro-phenyl)-N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]acetamide CAS Name: 2-(4-hydroxy-3-nitrophenyl)-N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(4-hydroxy-3-nitrophenyl)-N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]acetamide Traditional Name: 2-(4-hydroxy-3-nitro-phenyl)-N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]acetamide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC(=C(C=C3)O)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC(=C(C=C3)O)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N3O5S2/c1-21(2,29-3)8-9-30-20-23-15-6-5-14(12-18(15)31-20)22-19(26)11-13-4-7-17(25)16(10-13)24(27)28/h4-7,10,12,25H,8-9,11H2,1-3H3,(H,22,26)