4-[3,5-bis(chloranyl)-1-oxidanidyl-pyridin-1-ium-2-yl]-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-[3,5-bis(chloranyl)-1-oxidanidyl-pyridin-1-ium-2-yl]-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(3,5-dichloro-1-oxido-pyridin-1-ium-2-yl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-(3,5-dichloro-1-oxido-2-pyridin-1-iumyl)-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(3,5-dichloro-1-oxidopyridin-1-ium-2-yl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(3,5-dichloro-1-oxido-pyridin-1-ium-2-yl)-N-phenyl-piperazine-1-carbothioamide Formula: C16H16Cl2N4OS MolecularWeight: 383.29544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=[N+]2[O-])Cl)Cl)C(=S)NC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[N+]2[O-])Cl)Cl)C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C16H16Cl2N4OS/c17-12-10-14(18)15(22(23)11-12)20-6-8-21(9-7-20)16(24)19-13-4-2-1-3-5-13/h1-5,10-11H,6-9H2,(H,19,24)