4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carbothioamide Formula: C20H24FN3O3S MolecularWeight: 405.486263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O3S/c1-25-17-12-15(13-18(26-2)19(17)27-3)22-20(28)24-10-8-23(9-11-24)16-6-4-14(21)5-7-16/h4-7,12-13H,8-11H2,1-3H3,(H,22,28)