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

Systemtic Name: 4-[3,5-bis(chloranyl)pyridin-4-yl]-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,5-dichloro-4-pyridyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(3,5-dichloro-4-pyridinyl)-N-(2-methoxy-5-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3,5-dichloropyridin-4-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,5-dichloro-4-pyridyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Formula: C18H20Cl2N4OS MolecularWeight: 411.3486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3=C(C=NC=C3Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3=C(C=NC=C3Cl)Cl

InChI

InChI=1S/C18H20Cl2N4OS/c1-12-3-4-16(25-2)15(9-12)22-18(26)24-7-5-23(6-8-24)17-13(19)10-21-11-14(17)20/h3-4,9-11H,5-8H2,1-2H3,(H,22,26)