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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C16H18ClN5OS MolecularWeight: 363.86502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H18ClN5OS/c1-23-14-4-3-12(17)11-13(14)20-16(24)22-9-7-21(8-10-22)15-18-5-2-6-19-15/h2-6,11H,7-10H2,1H3,(H,20,24)