N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[2-[(2-fluorophenyl)methylthio]ethylamino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-[2-[(2-fluorobenzyl)thio]ethylamino]-2-keto-ethyl]-3-nitro-benzamide Formula: C18H18FN3O4S MolecularWeight: 391.416623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])F

InChI

InChI=1S/C18H18FN3O4S/c19-16-7-2-1-4-14(16)12-27-9-8-20-17(23)11-21-18(24)13-5-3-6-15(10-13)22(25)26/h1-7,10H,8-9,11-12H2,(H,20,23)(H,21,24)