4-(2,3-dimethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dimethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(2,3-dimethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(2,3-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-(4-fluorobenzyl)piperazine-1-carbothioamide Formula: C20H24FN3S MolecularWeight: 357.488063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F)C

InChI

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