N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C17H20ClN5O2S MolecularWeight: 393.891

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C3=NC=CC=N3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C3=NC=CC=N3)OC)Cl

InChI

InChI=1S/C17H20ClN5O2S/c1-24-14-11-13(15(25-2)10-12(14)18)21-17(26)23-8-6-22(7-9-23)16-19-4-3-5-20-16/h3-5,10-11H,6-9H2,1-2H3,(H,21,26)