4-(4-fluorophenyl)sulfanyl-3-nitro-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]benzamide

Systemtic Name: 4-(4-fluorophenyl)sulfanyl-3-nitro-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]benzamide Openeye Name: 4-(4-fluorophenyl)sulfanyl-N-[2-(isopropylamino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-[(4-fluorophenyl)thio]-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide IUPAC Name: 4-(4-fluorophenyl)sulfanyl-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide Traditional Name: 4-[(4-fluorophenyl)thio]-N-[2-(isopropylamino)-2-keto-ethyl]-3-nitro-benzamide Formula: C18H18FN3O4S MolecularWeight: 391.416623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18FN3O4S/c1-11(2)21-17(23)10-20-18(24)12-3-8-16(15(9-12)22(25)26)27-14-6-4-13(19)5-7-14/h3-9,11H,10H2,1-2H3,(H,20,24)(H,21,23)