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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(1-phenylethyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(1-phenylethyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(1-phenylethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(1-phenylethyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-(1-phenylethyl)piperazine-1-carbothioamide Formula: C20H23ClFN3S MolecularWeight: 391.933123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClFN3S/c1-15(17-5-3-2-4-6-17)23-20(26)25-11-9-24(10-12-25)14-16-7-8-19(22)18(21)13-16/h2-8,13,15H,9-12,14H2,1H3,(H,23,26)