N-(2,5-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-[(4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-4-(4-fluorobenzyl)piperazine-1-carbothioamide Formula: C20H24FN3S MolecularWeight: 357.488063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3S/c1-15-3-4-16(2)19(13-15)22-20(25)24-11-9-23(10-12-24)14-17-5-7-18(21)8-6-17/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)