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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-methylbenzyl)piperazine-1-carbothioamide Formula: C19H21ClFN3S MolecularWeight: 377.906543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H21ClFN3S/c1-14-2-4-15(5-3-14)13-23-8-10-24(11-9-23)19(25)22-16-6-7-18(21)17(20)12-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)