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

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N-[(4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-(4-fluorobenzyl)piperazine-1-carbothioamide Formula: C17H21FN4O3S2 MolecularWeight: 412.502043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H21FN4O3S2/c1-12-16(13(2)25-20-12)27(23,24)22-9-7-21(8-10-22)17(26)19-11-14-3-5-15(18)6-4-14/h3-6H,7-11H2,1-2H3,(H,19,26)