S-methyl 3-[4-[[6-ethyl-5-(hydroxymethyl)-2-methoxy-pyridin-3-yl]amino]piperazin-1-yl]-5-methyl-benzenecarbothioate

Systemtic Name: S-methyl 3-[4-[[6-ethyl-5-(hydroxymethyl)-2-methoxy-pyridin-3-yl]amino]piperazin-1-yl]-5-methyl-benzenecarbothioate Openeye Name: S-methyl 3-[4-[[6-ethyl-5-(hydroxymethyl)-2-methoxy-3-pyridyl]amino]piperazin-1-yl]-5-methyl-benzenecarbothioate CAS Name: 3-[4-[[6-ethyl-5-(hydroxymethyl)-2-methoxy-3-pyridinyl]amino]-1-piperazinyl]-5-methylbenzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 3-[4-[[6-ethyl-5-(hydroxymethyl)-2-methoxypyridin-3-yl]amino]piperazin-1-yl]-5-methylbenzenecarbothioate Traditional Name: 3-[4-[(6-ethyl-2-methoxy-5-methylol-3-pyridyl)amino]piperazino]-5-methyl-thiobenzoic acid S-methyl ester Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C=C1CO)NN2CCN(CC2)C3=CC(=CC(=C3)C)C(=O)SC)OC

Isomeric SMILES

CCC1=NC(=C(C=C1CO)NN2CCN(CC2)C3=CC(=CC(=C3)C)C(=O)SC)OC

InChI

InChI=1S/C22H30N4O3S/c1-5-19-17(14-27)13-20(21(23-19)29-3)24-26-8-6-25(7-9-26)18-11-15(2)10-16(12-18)22(28)30-4/h10-13,24,27H,5-9,14H2,1-4H3