4-(3-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(3-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(3-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(3-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(3-fluorophenyl)sulfonyl-N-p-anisyl-piperazine-1-carbothioamide Formula: C19H22FN3O3S2 MolecularWeight: 423.524683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN3O3S2/c1-26-17-7-5-15(6-8-17)14-21-19(27)22-9-11-23(12-10-22)28(24,25)18-4-2-3-16(20)13-18/h2-8,13H,9-12,14H2,1H3,(H,21,27)