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

Systemtic Name: S-methyl 4-[3,5-bis(fluoranyl)phenyl]-1-[(5-ethyl-2-methoxy-6-methyl-pyridin-3-yl)amino]piperazine-2-carbothioate Openeye Name: S-methyl 4-(3,5-difluorophenyl)-1-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino]piperazine-2-carbothioate CAS Name: 4-(3,5-difluorophenyl)-1-[(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)amino]-2-piperazinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-(3,5-difluorophenyl)-1-[(5-ethyl-2-methoxy-6-methylpyridin-3-yl)amino]piperazine-2-carbothioate Traditional Name: 4-(3,5-difluorophenyl)-1-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino]piperazine-2-carbothioic acid S-methyl ester Formula: C21H26F2N4O2S MolecularWeight: 436.518546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(N=C1C)OC)NN2CCN(CC2C(=O)SC)C3=CC(=CC(=C3)F)F

Isomeric SMILES

CCC1=CC(=C(N=C1C)OC)NN2CCN(CC2C(=O)SC)C3=CC(=CC(=C3)F)F

InChI

InChI=1S/C21H26F2N4O2S/c1-5-14-8-18(20(29-3)24-13(14)2)25-27-7-6-26(12-19(27)21(28)30-4)17-10-15(22)9-16(23)11-17/h8-11,19,25H,5-7,12H2,1-4H3