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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(4-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-p-phenetyl-piperazine-1-carbothioamide Formula: C20H23ClFN3OS MolecularWeight: 407.932523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H23ClFN3OS/c1-2-26-17-6-4-16(5-7-17)23-20(27)25-11-9-24(10-12-25)14-15-3-8-19(22)18(21)13-15/h3-8,13H,2,9-12,14H2,1H3,(H,23,27)