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

Systemtic Name: 4-[(4-fluorophenyl)methyl]-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(4-fluorophenyl)methyl]-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-[(4-fluorophenyl)methyl]-N-(2,4,5-trimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(4-fluorophenyl)methyl]-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-fluorobenzyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Formula: C21H26FN3S MolecularWeight: 371.514643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N2CCN(CC2)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H26FN3S/c1-15-12-17(3)20(13-16(15)2)23-21(26)25-10-8-24(9-11-25)14-18-4-6-19(22)7-5-18/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)