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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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