4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide Openeye Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carbothioamide CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N-(2-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carbothioamide Formula: C16H19FN4O3S2 MolecularWeight: 398.475463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C16H19FN4O3S2/c1-11-15(12(2)24-19-11)26(22,23)21-9-7-20(8-10-21)16(25)18-14-6-4-3-5-13(14)17/h3-6H,7-10H2,1-2H3,(H,18,25)