2-[[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[2-[4-[(E)-cinnamyl]piperazin-1-yl]-2-oxo-ethyl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethyl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[2-[4-[(E)-cinnamyl]piperazino]-2-keto-ethyl]thio]methyl]-1H-quinazolin-4-one Formula: C24H26N4O2S MolecularWeight: 434.55384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=O)CSCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)CSCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C24H26N4O2S/c29-23(18-31-17-22-25-21-11-5-4-10-20(21)24(30)26-22)28-15-13-27(14-16-28)12-6-9-19-7-2-1-3-8-19/h1-11H,12-18H2,(H,25,26,30)/b9-6+