N-(3-chlorophenyl)-4-(4,6-dimethoxypyrimidin-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chlorophenyl)-4-(4,6-dimethoxypyrimidin-2-yl)piperazine-1-carbothioamide Openeye Name: N-(3-chlorophenyl)-4-(4,6-dimethoxypyrimidin-2-yl)piperazine-1-carbothioamide CAS Name: N-(3-chlorophenyl)-4-(4,6-dimethoxy-2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chlorophenyl)-4-(4,6-dimethoxypyrimidin-2-yl)piperazine-1-carbothioamide Traditional Name: N-(3-chlorophenyl)-4-(4,6-dimethoxypyrimidin-2-yl)piperazine-1-carbothioamide Formula: C17H20ClN5O2S MolecularWeight: 393.891

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=NC(=N1)N2CCN(CC2)C(=S)NC3=CC(=CC=C3)Cl)OC

InChI

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