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

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide Openeye Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-N-[(2S)-2-ethylhexyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide Traditional Name: 4-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-[(2S)-2-ethylhexyl]piperazine-1-carbothioamide Formula: C18H32N4O3S2 MolecularWeight: 416.60168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(ON=C2C)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(ON=C2C)C

InChI

InChI=1S/C18H32N4O3S2/c1-5-7-8-16(6-2)13-19-18(26)21-9-11-22(12-10-21)27(23,24)17-14(3)20-25-15(17)4/h16H,5-13H2,1-4H3,(H,19,26)/t16-/m0/s1