4-(5-cyanopyridin-2-yl)-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(5-cyanopyridin-2-yl)-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(5-cyano-2-pyridyl)-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(5-cyano-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(5-cyanopyridin-2-yl)-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(5-cyano-2-pyridyl)-N-(3,4-dichlorobenzyl)piperazine-1-carbothioamide Formula: C18H17Cl2N5S MolecularWeight: 406.33208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=S)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=S)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H17Cl2N5S/c19-15-3-1-13(9-16(15)20)11-23-18(26)25-7-5-24(6-8-25)17-4-2-14(10-21)12-22-17/h1-4,9,12H,5-8,11H2,(H,23,26)