N-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-fluorophenyl)-4-(4-methoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H20FN3O3S2 MolecularWeight: 409.498103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C18H20FN3O3S2/c1-25-14-6-8-15(9-7-14)27(23,24)22-12-10-21(11-13-22)18(26)20-17-5-3-2-4-16(17)19/h2-9H,10-13H2,1H3,(H,20,26)