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

Systemtic Name: 4-[3,5-bis(chloranyl)pyridin-4-yl]-N-(3-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,5-dichloro-4-pyridyl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(3,5-dichloro-4-pyridinyl)-N-(3-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,5-dichloropyridin-4-yl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,5-dichloro-4-pyridyl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide Formula: C17H18Cl2N4OS MolecularWeight: 397.32202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18Cl2N4OS/c1-24-13-4-2-3-12(9-13)21-17(25)23-7-5-22(6-8-23)16-14(18)10-20-11-15(16)19/h2-4,9-11H,5-8H2,1H3,(H,21,25)