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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2N3S/c21-17-9-4-10-18(19(17)22)23-20(26)25-14-12-24(13-15-25)11-5-8-16-6-2-1-3-7-16/h1-10H,11-15H2,(H,23,26)/b8-5+