N-(5-ethyl-2-methoxy-6-methyl-pyridin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(5-ethyl-2-methoxy-6-methyl-pyridin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Openeye Name: N-(5-ethyl-2-methoxy-6-methyl-3-pyridyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide CAS Name: N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-[2-(methylthio)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Traditional Name: N-(5-ethyl-2-methoxy-6-methyl-3-pyridyl)-4-[2-(methylthio)phenyl]piperazine-1-carbothioamide Formula: C21H28N4OS2 MolecularWeight: 416.60322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(N=C1C)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

CCC1=CC(=C(N=C1C)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC

InChI

InChI=1S/C21H28N4OS2/c1-5-16-14-17(20(26-3)22-15(16)2)23-21(27)25-12-10-24(11-13-25)18-8-6-7-9-19(18)28-4/h6-9,14H,5,10-13H2,1-4H3,(H,23,27)