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

Systemtic Name: S-[(5-ethyl-2-methoxy-6-methyl-pyridin-3-yl)amino] 4-(2-fluorophenyl)piperazine-1-carbothioate Openeye Name: S-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino] 4-(2-fluorophenyl)piperazine-1-carbothioate CAS Name: 4-(2-fluorophenyl)-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-fluorophenyl)piperazine-1-carbothioate Traditional Name: 4-(2-fluorophenyl)piperazine-1-carbothioic acid S-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino] ester Formula: C20H25FN4O2S MolecularWeight: 404.501503

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(N=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

CCC1=CC(=C(N=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C20H25FN4O2S/c1-4-15-13-17(19(27-3)22-14(15)2)23-28-20(26)25-11-9-24(10-12-25)18-8-6-5-7-16(18)21/h5-8,13,23H,4,9-12H2,1-3H3