4-(4-butylphenyl)sulfonyl-N-(3-chloranyl-4-fluoranyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-butylphenyl)sulfonyl-N-(3-chloranyl-4-fluoranyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-butylphenyl)sulfonyl-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-butylphenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-butylphenyl)sulfonyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-butylphenyl)sulfonyl-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide Formula: C21H25ClFN3O2S2 MolecularWeight: 470.023503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H25ClFN3O2S2/c1-2-3-4-16-5-8-18(9-6-16)30(27,28)26-13-11-25(12-14-26)21(29)24-17-7-10-20(23)19(22)15-17/h5-10,15H,2-4,11-14H2,1H3,(H,24,29)