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

Systemtic Name: S-methyl 1-[[5-(hydroxymethyl)-2-methoxy-6-methyl-pyridin-3-yl]amino]-4-phenyl-piperazine-2-carbothioate Openeye Name: S-methyl 1-[[5-(hydroxymethyl)-2-methoxy-6-methyl-3-pyridyl]amino]-4-phenyl-piperazine-2-carbothioate CAS Name: 1-[[5-(hydroxymethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]-4-phenyl-2-piperazinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 1-[[5-(hydroxymethyl)-2-methoxy-6-methylpyridin-3-yl]amino]-4-phenylpiperazine-2-carbothioate Traditional Name: 1-[(2-methoxy-6-methyl-5-methylol-3-pyridyl)amino]-4-phenyl-piperazine-2-carbothioic 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(CC2C(=O)SC)C3=CC=CC=C3)OC

Isomeric SMILES

CC1=NC(=C(C=C1CO)NN2CCN(CC2C(=O)SC)C3=CC=CC=C3)OC

InChI

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