3-methyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]amino]butan-2-yl]benzamide

Systemtic Name: 3-methyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]amino]butan-2-yl]benzamide Openeye Name: 3-methyl-N-[(1S)-2-methyl-1-[[4-(3-pyridylmethylsulfanyl)phenyl]carbamoyl]propyl]benzamide CAS Name: 3-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(3-pyridinylmethylthio)anilino]butan-2-yl]benzamide IUPAC Name: 3-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-3-ylmethylsulfanyl)anilino]butan-2-yl]benzamide Traditional Name: 3-methyl-N-[(1S)-2-methyl-1-[[4-(3-pyridylmethylthio)phenyl]carbamoyl]propyl]benzamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C25H27N3O2S/c1-17(2)23(28-24(29)20-8-4-6-18(3)14-20)25(30)27-21-9-11-22(12-10-21)31-16-19-7-5-13-26-15-19/h4-15,17,23H,16H2,1-3H3,(H,27,30)(H,28,29)/t23-/m0/s1