4-(2-cyanophenyl)-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2-cyanophenyl)-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(2-cyanophenyl)-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(2-cyanophenyl)-N-[(3,4-dichlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-cyanophenyl)-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(2-cyanophenyl)-N-(3,4-dichlorobenzyl)piperazine-1-carbothioamide Formula: C19H18Cl2N4S MolecularWeight: 405.34402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)C(=S)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)C(=S)NCC3=CC(=C(C=C3)Cl)Cl

InChI

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