N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-4-(4-fluorophenyl)sulfanyl-3-nitro-benzamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-4-[(4-fluorophenyl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-4-(4-fluorophenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-4-[(4-fluorophenyl)thio]-3-nitro-benzamide Formula: C19H20FN3O4S MolecularWeight: 405.443203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN3O4S/c1-19(2,3)22-17(24)11-21-18(25)12-4-9-16(15(10-12)23(26)27)28-14-7-5-13(20)6-8-14/h4-10H,11H2,1-3H3,(H,21,25)(H,22,24)