N-[3,5-bis(chloranyl)phenyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(3,5-dichlorophenyl)piperazine-1-carbothioamide CAS Name: N-(3,5-dichlorophenyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dichlorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-(3,5-dichlorophenyl)piperazine-1-carbothioamide Formula: C20H21Cl2N3S MolecularWeight: 406.37184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2N3S/c21-17-13-18(22)15-19(14-17)23-20(26)25-11-9-24(10-12-25)8-4-7-16-5-2-1-3-6-16/h1-7,13-15H,8-12H2,(H,23,26)/b7-4+