N-[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: N-[(2S)-1-[(3-fluoranyl-4-methyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-1-[(3-fluoro-4-methyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(3-fluoro-4-methylanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(3-fluoro-4-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-1-[(3-fluoro-4-methyl-phenyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C19H20FN3O4S MolecularWeight: 405.443203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])F

InChI

InChI=1S/C19H20FN3O4S/c1-12-6-7-14(11-16(12)20)21-19(25)17(8-9-28-2)22-18(24)13-4-3-5-15(10-13)23(26)27/h3-7,10-11,17H,8-9H2,1-2H3,(H,21,25)(H,22,24)/t17-/m0/s1