N-(3-chloranyl-4-fluoranyl-phenyl)-4-(2-ethylbutyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(2-ethylbutyl)piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(2-ethylbutyl)piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(2-ethylbutyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(2-ethylbutyl)piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(2-ethylbutyl)piperazine-1-carbothioamide Formula: C17H25ClFN3S MolecularWeight: 357.916903

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CN1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCC(CC)CN1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H25ClFN3S/c1-3-13(4-2)12-21-7-9-22(10-8-21)17(23)20-14-5-6-16(19)15(18)11-14/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,20,23)