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

Systemtic Name: S-methyl 3-[4-[[5-(hydroxymethyl)-2-methoxy-6-methyl-pyridin-3-yl]amino]piperazin-1-yl]-5-methyl-benzenecarbothioate Openeye Name: S-methyl 3-[4-[[5-(hydroxymethyl)-2-methoxy-6-methyl-3-pyridyl]amino]piperazin-1-yl]-5-methyl-benzenecarbothioate CAS Name: 3-[4-[[5-(hydroxymethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]-1-piperazinyl]-5-methylbenzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 3-[4-[[5-(hydroxymethyl)-2-methoxy-6-methylpyridin-3-yl]amino]piperazin-1-yl]-5-methylbenzenecarbothioate Traditional Name: 3-[4-[(2-methoxy-6-methyl-5-methylol-3-pyridyl)amino]piperazino]-5-methyl-thiobenzoic acid S-methyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)SC)N2CCN(CC2)NC3=C(N=C(C(=C3)CO)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)SC)N2CCN(CC2)NC3=C(N=C(C(=C3)CO)C)OC

InChI

InChI=1S/C21H28N4O3S/c1-14-9-16(21(27)29-4)11-18(10-14)24-5-7-25(8-6-24)23-19-12-17(13-26)15(2)22-20(19)28-3/h9-12,23,26H,5-8,13H2,1-4H3