N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-2-(2-fluorophenyl)sulfanyl-N-methyl-5-nitro-benzamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-2-(2-fluorophenyl)sulfanyl-N-methyl-5-nitro-benzamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-2-(2-fluorophenyl)sulfanyl-N-methyl-5-nitro-benzamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-2-[(2-fluorophenyl)thio]-N-methyl-5-nitrobenzamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-2-(2-fluorophenyl)sulfanyl-N-methyl-5-nitrobenzamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-2-[(2-fluorophenyl)thio]-N-methyl-5-nitro-benzamide Formula: C20H22FN3O4S MolecularWeight: 419.469783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=CC=C2F

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=CC=C2F

InChI

InChI=1S/C20H22FN3O4S/c1-20(2,3)22-18(25)12-23(4)19(26)14-11-13(24(27)28)9-10-16(14)29-17-8-6-5-7-15(17)21/h5-11H,12H2,1-4H3,(H,22,25)