4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methyl]-N-(4-isopropylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-chloro-4-fluoro-benzyl)-N-p-cumenyl-piperazine-1-carbothioamide Formula: C21H25ClFN3S MolecularWeight: 405.959703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClFN3S/c1-15(2)16-4-7-19(8-5-16)24-21(27)26-11-9-25(10-12-26)14-17-3-6-18(23)13-20(17)22/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,27)