N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1R)-1-[2-(4-fluorophenyl)ethylcarbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1R)-1-[2-(4-fluorophenyl)ethylcarbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C20H22FN3O4S MolecularWeight: 419.469783

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCC1=CC=C(C=C1)F)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)NCCC1=CC=C(C=C1)F)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN3O4S/c1-29-12-10-18(20(26)22-11-9-14-5-7-16(21)8-6-14)23-19(25)15-3-2-4-17(13-15)24(27)28/h2-8,13,18H,9-12H2,1H3,(H,22,26)(H,23,25)/t18-/m1/s1