N-(4-butan-2-ylphenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-butan-2-ylphenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[(3-fluorophenyl)methyl]-N-(4-sec-butylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butan-2-ylphenyl)-4-[(3-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(3-fluorobenzyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide Formula: C22H28FN3S MolecularWeight: 385.541223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3S/c1-3-17(2)19-7-9-21(10-8-19)24-22(27)26-13-11-25(12-14-26)16-18-5-4-6-20(23)15-18/h4-10,15,17H,3,11-14,16H2,1-2H3,(H,24,27)