N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-4-[(E)-cinnamyl]piperazine-1-carbothioamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-4-[(E)-cinnamyl]piperazine-1-carbothioamide Formula: C27H26ClN3OS MolecularWeight: 476.03284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C(=S)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=S)NC3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H26ClN3OS/c28-23-13-14-25(24(20-23)26(32)22-11-5-2-6-12-22)29-27(33)31-18-16-30(17-19-31)15-7-10-21-8-3-1-4-9-21/h1-14,20H,15-19H2,(H,29,33)/b10-7+