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

Systemtic Name: N-(2,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(2,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(2,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(2,4-dimethoxyphenyl)-4-(3-fluorobenzyl)piperazine-1-carbothioamide Formula: C20H24FN3O2S MolecularWeight: 389.486863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)F)OC

InChI

InChI=1S/C20H24FN3O2S/c1-25-17-6-7-18(19(13-17)26-2)22-20(27)24-10-8-23(9-11-24)14-15-4-3-5-16(21)12-15/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,27)