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

Systemtic Name: S-methyl 1-[[5-(1-hydroxyethyl)-2-methoxy-6-methyl-pyridin-3-yl]amino]-4-phenyl-piperazine-2-carbothioate Openeye Name: S-methyl 1-[[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridyl]amino]-4-phenyl-piperazine-2-carbothioate CAS Name: 1-[[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]-4-phenyl-2-piperazinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 1-[[5-(1-hydroxyethyl)-2-methoxy-6-methylpyridin-3-yl]amino]-4-phenylpiperazine-2-carbothioate Traditional Name: 1-[[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridyl]amino]-4-phenyl-piperazine-2-carbothioic acid S-methyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1C(C)O)NN2CCN(CC2C(=O)SC)C3=CC=CC=C3)OC

Isomeric SMILES

CC1=NC(=C(C=C1C(C)O)NN2CCN(CC2C(=O)SC)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H28N4O3S/c1-14-17(15(2)26)12-18(20(22-14)28-3)23-25-11-10-24(13-19(25)21(27)29-4)16-8-6-5-7-9-16/h5-9,12,15,19,23,26H,10-11,13H2,1-4H3