S-[(5-ethyl-2-methoxy-6-methyl-pyridin-3-yl)amino] 4-(2-methylsulfanylphenyl)piperazine-1-carbothioate

Systemtic Name: S-[(5-ethyl-2-methoxy-6-methyl-pyridin-3-yl)amino] 4-(2-methylsulfanylphenyl)piperazine-1-carbothioate Openeye Name: S-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino] 4-(2-methylsulfanylphenyl)piperazine-1-carbothioate CAS Name: 4-[2-(methylthio)phenyl]-1-piperazinecarbothioic acid S-[(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)amino] ester IUPAC Name: S-[(5-ethyl-2-methoxy-6-methylpyridin-3-yl)amino] 4-(2-methylsulfanylphenyl)piperazine-1-carbothioate Traditional Name: 4-[2-(methylthio)phenyl]piperazine-1-carbothioic acid S-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino] ester Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(N=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

CCC1=CC(=C(N=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC=CC=C3SC

InChI

InChI=1S/C21H28N4O2S2/c1-5-16-14-17(20(27-3)22-15(16)2)23-29-21(26)25-12-10-24(11-13-25)18-8-6-7-9-19(18)28-4/h6-9,14,23H,5,10-13H2,1-4H3