5-phenyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonylamino]pentanethioic S-acid

Systemtic Name: 5-phenyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonylamino]pentanethioic S-acid Openeye Name: 4-[[4-[(E)-cinnamyl]piperazine-1-carbonyl]amino]-5-phenyl-pentanethioic S-acid CAS Name: 4-[[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]amino]-5-phenylpentanethioic S-acid IUPAC Name: 5-phenyl-4-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]amino]pentanethioic S-acid Traditional Name: 4-[[4-[(E)-cinnamyl]piperazine-1-carbonyl]amino]-5-phenyl-thiovaleric acid Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)NC(CCC(=O)S)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)NC(CCC(=O)S)CC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O2S/c29-24(31)14-13-23(20-22-10-5-2-6-11-22)26-25(30)28-18-16-27(17-19-28)15-7-12-21-8-3-1-4-9-21/h1-12,23H,13-20H2,(H,26,30)(H,29,31)/b12-7+