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

Systemtic Name: 4-[3,5-bis(chloranyl)pyridin-4-yl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(3,5-dichloro-4-pyridyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(3,5-dichloro-4-pyridinyl)-N-[(4-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3,5-dichloropyridin-4-yl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(3,5-dichloro-4-pyridyl)-N-p-anisyl-piperazine-1-carbothioamide Formula: C18H20Cl2N4OS MolecularWeight: 411.3486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20Cl2N4OS/c1-25-14-4-2-13(3-5-14)10-22-18(26)24-8-6-23(7-9-24)17-15(19)11-21-12-16(17)20/h2-5,11-12H,6-10H2,1H3,(H,22,26)