4-(4-fluorophenyl)sulfanyl-N-methyl-3-nitro-N-[2-oxidanylidene-2-(propylamino)ethyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)C(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CN(C)C(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

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