4-bromanyl-N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-[[2-(phenylmethyl)phenyl]amino]butan-2-yl]benzamide

Systemtic Name: 4-bromanyl-N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-[[2-(phenylmethyl)phenyl]amino]butan-2-yl]benzamide Openeye Name: N-[(1R)-1-[(2-benzylphenyl)carbamoyl]-3-methylsulfanyl-propyl]-4-bromo-benzamide CAS Name: 4-bromo-N-[(2R)-4-(methylthio)-1-oxo-1-[2-(phenylmethyl)anilino]butan-2-yl]benzamide IUPAC Name: N-[(2R)-1-(2-benzylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-4-bromobenzamide Traditional Name: N-[(1R)-1-[(2-benzylphenyl)carbamoyl]-3-(methylthio)propyl]-4-bromo-benzamide Formula: C25H25BrN2O2S MolecularWeight: 497.4472

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC=C1CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CSCC[C@H](C(=O)NC1=CC=CC=C1CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H25BrN2O2S/c1-31-16-15-23(28-24(29)19-11-13-21(26)14-12-19)25(30)27-22-10-6-5-9-20(22)17-18-7-3-2-4-8-18/h2-14,23H,15-17H2,1H3,(H,27,30)(H,28,29)/t23-/m1/s1