N-[2-(3-chlorophenyl)-1-phenyl-ethyl]-4-(2-cyanoethyl)piperazine-1-carbothioamide

Systemtic Name: N-[2-(3-chlorophenyl)-1-phenyl-ethyl]-4-(2-cyanoethyl)piperazine-1-carbothioamide Openeye Name: N-[2-(3-chlorophenyl)-1-phenyl-ethyl]-4-(2-cyanoethyl)piperazine-1-carbothioamide CAS Name: N-[2-(3-chlorophenyl)-1-phenylethyl]-4-(2-cyanoethyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(3-chlorophenyl)-1-phenylethyl]-4-(2-cyanoethyl)piperazine-1-carbothioamide Traditional Name: N-[2-(3-chlorophenyl)-1-phenyl-ethyl]-4-(2-cyanoethyl)piperazine-1-carbothioamide Formula: C22H25ClN4S MolecularWeight: 412.9787

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4S/c23-20-9-4-6-18(16-20)17-21(19-7-2-1-3-8-19)25-22(28)27-14-12-26(13-15-27)11-5-10-24/h1-4,6-9,16,21H,5,11-15,17H2,(H,25,28)