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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(3-methylbutyl)piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-isopentyl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(3-methylbutyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(3-methylbutyl)piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-isoamyl-piperazine-1-carbothioamide Formula: C16H23ClFN3S MolecularWeight: 343.890323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CC(C)CCN1CCN(CC1)C(=S)NC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H23ClFN3S/c1-12(2)5-6-20-7-9-21(10-8-20)16(22)19-13-3-4-15(18)14(17)11-13/h3-4,11-12H,5-10H2,1-2H3,(H,19,22)