4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-(2-methoxyethyl)piperazine-1-carbothioamide Formula: C15H21ClFN3OS MolecularWeight: 345.863143

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N1CCN(CC1)CC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

COCCNC(=S)N1CCN(CC1)CC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C15H21ClFN3OS/c1-21-9-4-18-15(22)20-7-5-19(6-8-20)11-12-2-3-14(17)13(16)10-12/h2-3,10H,4-9,11H2,1H3,(H,18,22)