N-(4-chloranyl-3-fluoranyl-phenyl)-4-(3-phenylprop-2-enyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-3-fluoranyl-phenyl)-4-(3-phenylprop-2-enyl)piperazine-1-carbothioamide Openeye Name: N-(4-chloro-3-fluoro-phenyl)-4-cinnamyl-piperazine-1-carbothioamide CAS Name: N-(4-chloro-3-fluorophenyl)-4-(3-phenylprop-2-enyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-3-fluorophenyl)-4-(3-phenylprop-2-enyl)piperazine-1-carbothioamide Traditional Name: N-(4-chloro-3-fluoro-phenyl)-4-cinnamyl-piperazine-1-carbothioamide Formula: C20H21ClFN3S MolecularWeight: 389.917243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFN3S/c21-18-9-8-17(15-19(18)22)23-20(26)25-13-11-24(12-14-25)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2,(H,23,26)