N-[3,5-bis(chloranyl)phenyl]-4-[(4-cyanophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-[(4-cyanophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-(3,5-dichlorophenyl)piperazine-1-carbothioamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-(3,5-dichlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-(3,5-dichlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-cyanobenzyl)-N-(3,5-dichlorophenyl)piperazine-1-carbothioamide Formula: C19H18Cl2N4S MolecularWeight: 405.34402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=S)NC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=S)NC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C19H18Cl2N4S/c20-16-9-17(21)11-18(10-16)23-19(26)25-7-5-24(6-8-25)13-15-3-1-14(12-22)2-4-15/h1-4,9-11H,5-8,13H2,(H,23,26)