4-(2-cyanoethyl)-N-[2-(4-fluorophenyl)-1-phenyl-ethyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2-cyanoethyl)-N-[2-(4-fluorophenyl)-1-phenyl-ethyl]piperazine-1-carbothioamide Openeye Name: 4-(2-cyanoethyl)-N-[2-(4-fluorophenyl)-1-phenyl-ethyl]piperazine-1-carbothioamide CAS Name: 4-(2-cyanoethyl)-N-[2-(4-fluorophenyl)-1-phenylethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-cyanoethyl)-N-[2-(4-fluorophenyl)-1-phenylethyl]piperazine-1-carbothioamide Traditional Name: 4-(2-cyanoethyl)-N-[2-(4-fluorophenyl)-1-phenyl-ethyl]piperazine-1-carbothioamide Formula: C22H25FN4S MolecularWeight: 396.524103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C(=S)NC(CC2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCC#N)C(=S)NC(CC2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C22H25FN4S/c23-20-9-7-18(8-10-20)17-21(19-5-2-1-3-6-19)25-22(28)27-15-13-26(14-16-27)12-4-11-24/h1-3,5-10,21H,4,12-17H2,(H,25,28)