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

Systemtic Name: 4-[3,5-bis(chloranyl)pyridin-4-yl]-N-(5-chloranyl-2-methoxy-phenyl)piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-(3,5-dichloro-4-pyridyl)piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-(3,5-dichloro-4-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-(3,5-dichloropyridin-4-yl)piperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-(3,5-dichloro-4-pyridyl)piperazine-1-carbothioamide Formula: C17H17Cl3N4OS MolecularWeight: 431.76708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C3=C(C=NC=C3Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C3=C(C=NC=C3Cl)Cl

InChI

InChI=1S/C17H17Cl3N4OS/c1-25-15-3-2-11(18)8-14(15)22-17(26)24-6-4-23(5-7-24)16-12(19)9-21-10-13(16)20/h2-3,8-10H,4-7H2,1H3,(H,22,26)