2-bromanyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-2-yl]benzamide Openeye Name: 2-bromo-N-[(1S)-1-[4-[(E)-cinnamyl]piperazine-1-carbonyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[(2S)-4-(methylthio)-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]butan-2-yl]benzamide IUPAC Name: 2-bromo-N-[(2S)-4-methylsulfanyl-1-oxo-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-2-yl]benzamide Traditional Name: 2-bromo-N-[(1S)-1-[4-[(E)-cinnamyl]piperazine-1-carbonyl]-3-(methylthio)propyl]benzamide Formula: C25H30BrN3O2S MolecularWeight: 516.4936

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)CC=CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C25H30BrN3O2S/c1-32-19-13-23(27-24(30)21-11-5-6-12-22(21)26)25(31)29-17-15-28(16-18-29)14-7-10-20-8-3-2-4-9-20/h2-12,23H,13-19H2,1H3,(H,27,30)/b10-7+/t23-/m0/s1