N-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[(4-fluorophenyl)methyl]-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-fluorobenzyl)-4-tosyl-piperazine-1-carbothioamide Formula: C19H22FN3O2S2 MolecularWeight: 407.525283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN3O2S2/c1-15-2-8-18(9-3-15)27(24,25)23-12-10-22(11-13-23)19(26)21-14-16-4-6-17(20)7-5-16/h2-9H,10-14H2,1H3,(H,21,26)