N-[[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperazine-1-carbothioamide

Systemtic Name: N-[[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperazine-1-carbothioamide Openeye Name: N-[[3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazol-5-yl]methyl]piperazine-1-carbothioamide CAS Name: N-[[3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazol-5-yl]methyl]-1-piperazinecarbothioamide IUPAC Name: N-[[3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]piperazine-1-carbothioamide Traditional Name: N-[(3-mesityl-2-isoxazolin-5-yl)methyl]piperazine-1-carbothioamide Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NOC(C2)CNC(=S)N3CCNCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NOC(C2)CNC(=S)N3CCNCC3)C

InChI

InChI=1S/C18H26N4OS/c1-12-8-13(2)17(14(3)9-12)16-10-15(23-21-16)11-20-18(24)22-6-4-19-5-7-22/h8-9,15,19H,4-7,10-11H2,1-3H3,(H,20,24)