4-[(4-cyanophenyl)methyl]-N-(3-fluoranyl-4-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-(3-fluoranyl-4-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-cyanobenzyl)-N-(3-fluoro-4-methyl-phenyl)piperazine-1-carbothioamide Formula: C20H21FN4S MolecularWeight: 368.470943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN4S/c1-15-2-7-18(12-19(15)21)23-20(26)25-10-8-24(9-11-25)14-17-5-3-16(13-22)4-6-17/h2-7,12H,8-11,14H2,1H3,(H,23,26)