4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide Formula: C19H21ClFN3OS MolecularWeight: 393.905943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFN3OS/c1-25-16-5-3-15(4-6-16)22-19(26)24-10-8-23(9-11-24)13-14-2-7-18(21)17(20)12-14/h2-7,12H,8-11,13H2,1H3,(H,22,26)