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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-homoveratryl-piperazine-1-carbothioamide Formula: C21H26FN3O4S2 MolecularWeight: 467.577243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O4S2/c1-28-19-8-3-16(15-20(19)29-2)9-10-23-21(30)24-11-13-25(14-12-24)31(26,27)18-6-4-17(22)5-7-18/h3-8,15H,9-14H2,1-2H3,(H,23,30)