2-(4-fluorophenyl)-4-[(E)-3-imidazol-1-ylprop-1-enyl]-N-[(3S)-5-methylsulfanyl-2-oxidanylidene-1-phenyl-pentan-3-yl]benzamide

Systemtic Name: 2-(4-fluorophenyl)-4-[(E)-3-imidazol-1-ylprop-1-enyl]-N-[(3S)-5-methylsulfanyl-2-oxidanylidene-1-phenyl-pentan-3-yl]benzamide Openeye Name: 2-(4-fluorophenyl)-4-[(E)-3-imidazol-1-ylprop-1-enyl]-N-[(1S)-1-(2-methylsulfanylethyl)-2-oxo-3-phenyl-propyl]benzamide CAS Name: 2-(4-fluorophenyl)-4-[(E)-3-(1-imidazolyl)prop-1-enyl]-N-[(3S)-5-(methylthio)-2-oxo-1-phenylpentan-3-yl]benzamide IUPAC Name: 2-(4-fluorophenyl)-4-[(E)-3-imidazol-1-ylprop-1-enyl]-N-[(3S)-5-methylsulfanyl-2-oxo-1-phenylpentan-3-yl]benzamide Traditional Name: 2-(4-fluorophenyl)-4-[(E)-3-imidazol-1-ylprop-1-enyl]-N-[(1S)-2-keto-1-[2-(methylthio)ethyl]-3-phenyl-propyl]benzamide Formula: C31H30FN3O2S MolecularWeight: 527.652203

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)CC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)C=CCN3C=CN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CSCC[C@@H](C(=O)CC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)/C=C/CN3C=CN=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C31H30FN3O2S/c1-38-19-15-29(30(36)21-23-6-3-2-4-7-23)34-31(37)27-14-9-24(8-5-17-35-18-16-33-22-35)20-28(27)25-10-12-26(32)13-11-25/h2-14,16,18,20,22,29H,15,17,19,21H2,1H3,(H,34,37)/b8-5+/t29-/m0/s1