4-[3,5-bis(chloranyl)pyridin-4-yl]-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[3,5-bis(chloranyl)pyridin-4-yl]-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(3,5-dichloro-4-pyridyl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide CAS Name: 4-(3,5-dichloro-4-pyridinyl)-N-(3-pyridinylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,5-dichloropyridin-4-yl)-N-(pyridin-3-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(3,5-dichloro-4-pyridyl)-N-(3-pyridylmethyl)piperazine-1-carbothioamide Formula: C16H17Cl2N5S MolecularWeight: 382.31068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=NC=C2Cl)Cl)C(=S)NCC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=NC=C2Cl)Cl)C(=S)NCC3=CN=CC=C3

InChI

InChI=1S/C16H17Cl2N5S/c17-13-10-20-11-14(18)15(13)22-4-6-23(7-5-22)16(24)21-9-12-2-1-3-19-8-12/h1-3,8,10-11H,4-7,9H2,(H,21,24)