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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-fluorophenyl)-N-homoveratryl-piperazine-1-carbothioamide Formula: C21H26FN3O2S MolecularWeight: 403.513443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C3=CC=CC=C3F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)C3=CC=CC=C3F)OC

InChI

InChI=1S/C21H26FN3O2S/c1-26-19-8-7-16(15-20(19)27-2)9-10-23-21(28)25-13-11-24(12-14-25)18-6-4-3-5-17(18)22/h3-8,15H,9-14H2,1-2H3,(H,23,28)