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

Systemtic Name: S-methyl 4-[4-[[5-(hydroxymethyl)-2-methoxy-6-methyl-pyridin-3-yl]amino]piperazin-1-yl]benzenecarbothioate Openeye Name: S-methyl 4-[4-[[5-(hydroxymethyl)-2-methoxy-6-methyl-3-pyridyl]amino]piperazin-1-yl]benzenecarbothioate CAS Name: 4-[4-[[5-(hydroxymethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]-1-piperazinyl]benzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-[4-[[5-(hydroxymethyl)-2-methoxy-6-methylpyridin-3-yl]amino]piperazin-1-yl]benzenecarbothioate Traditional Name: 4-[4-[(2-methoxy-6-methyl-5-methylol-3-pyridyl)amino]piperazino]thiobenzoic acid S-methyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1CO)NN2CCN(CC2)C3=CC=C(C=C3)C(=O)SC)OC

Isomeric SMILES

CC1=NC(=C(C=C1CO)NN2CCN(CC2)C3=CC=C(C=C3)C(=O)SC)OC

InChI

InChI=1S/C20H26N4O3S/c1-14-16(13-25)12-18(19(21-14)27-2)22-24-10-8-23(9-11-24)17-6-4-15(5-7-17)20(26)28-3/h4-7,12,22,25H,8-11,13H2,1-3H3