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

Systemtic Name: N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1R)-1-[(4-fluorophenyl)methylcarbamoyl]-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2R)-1-[(4-fluorophenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1R)-1-[(4-fluorobenzyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C19H20FN3O4S MolecularWeight: 405.443203

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=C(C=C1)F)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)NCC1=CC=C(C=C1)F)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN3O4S/c1-28-10-9-17(19(25)21-12-13-5-7-15(20)8-6-13)22-18(24)14-3-2-4-16(11-14)23(26)27/h2-8,11,17H,9-10,12H2,1H3,(H,21,25)(H,22,24)/t17-/m1/s1