4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(5-chloranyl-2-methoxy-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(5-chloranyl-2-methoxy-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methyl]-N-(5-chloro-2-methoxy-phenyl)piperazine-1-carbothioamide CAS Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(5-chloro-2-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-chloro-4-fluoro-benzyl)-N-(5-chloro-2-methoxy-phenyl)piperazine-1-carbothioamide Formula: C19H20Cl2FN3OS MolecularWeight: 428.351003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C19H20Cl2FN3OS/c1-26-18-5-3-14(20)10-17(18)23-19(27)25-8-6-24(7-9-25)12-13-2-4-15(22)11-16(13)21/h2-5,10-11H,6-9,12H2,1H3,(H,23,27)