2-fluoranyl-4-nitro-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-fluoranyl-4-nitro-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-fluoro-4-nitro-N-[2-[2-(3-thienyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-fluoro-4-nitro-N-[2-[2-(3-thiophenyl)ethylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-fluoro-4-nitro-N-[2-(2-thiophen-3-ylethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-fluoro-4-nitro-N-[2-[2-(3-thienyl)ethylthio]-1,3-benzothiazol-6-yl]benzamide Formula: C20H14FN3O3S3 MolecularWeight: 459.536863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])F)SC(=N2)SCCC4=CSC=C4

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])F)SC(=N2)SCCC4=CSC=C4

InChI

InChI=1S/C20H14FN3O3S3/c21-16-10-14(24(26)27)2-3-15(16)19(25)22-13-1-4-17-18(9-13)30-20(23-17)29-8-6-12-5-7-28-11-12/h1-5,7,9-11H,6,8H2,(H,22,25)