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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

InChI

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