N-[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[5-chloranyl-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-phenylsulfanyl-acetamide CAS Name: N-[5-chloro-2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]phenyl]-2-(phenylthio)acetamide IUPAC Name: N-[5-chloro-2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-2-phenylsulfanylacetamide Traditional Name: N-[5-chloro-2-[4-[(E)-3-phenylacryloyl]piperazino]phenyl]-2-(phenylthio)acetamide Formula: C27H26ClN3O2S MolecularWeight: 492.03224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)NC(=O)CSC3=CC=CC=C3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)NC(=O)CSC3=CC=CC=C3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H26ClN3O2S/c28-22-12-13-25(24(19-22)29-26(32)20-34-23-9-5-2-6-10-23)30-15-17-31(18-16-30)27(33)14-11-21-7-3-1-4-8-21/h1-14,19H,15-18,20H2,(H,29,32)/b14-11+