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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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