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

Systemtic Name: S-[[5-(1-hydroxyethyl)-2-methoxy-6-methyl-pyridin-3-yl]amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate Openeye Name: S-[[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridyl]amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate CAS Name: 4-(3,5-dimethylphenyl)-1-piperazinecarbothioic acid S-[[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino] ester IUPAC Name: S-[[5-(1-hydroxyethyl)-2-methoxy-6-methylpyridin-3-yl]amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate Traditional Name: 4-(3,5-dimethylphenyl)piperazine-1-carbothioic acid S-[[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridyl]amino] ester Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=C(N=C(C(=C3)C(C)O)C)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=C(N=C(C(=C3)C(C)O)C)OC)C

InChI

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