N-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-propan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-propan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-isopropylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-p-cumenylsulfonyl-piperazine-1-carbothioamide Formula: C20H23ClFN3O2S2 MolecularWeight: 455.996923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H23ClFN3O2S2/c1-14(2)15-3-6-17(7-4-15)29(26,27)25-11-9-24(10-12-25)20(28)23-16-5-8-19(22)18(21)13-16/h3-8,13-14H,9-12H2,1-2H3,(H,23,28)