S-[(2-methoxy-5,6-dimethyl-pyridin-3-yl)amino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate

Systemtic Name: S-[(2-methoxy-5,6-dimethyl-pyridin-3-yl)amino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate Openeye Name: S-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate CAS Name: 4-(3,5-dimethoxyphenyl)-1-piperazinecarbothioic acid S-[(2-methoxy-5,6-dimethyl-3-pyridinyl)amino] ester IUPAC Name: S-[(2-methoxy-5,6-dimethylpyridin-3-yl)amino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate Traditional Name: 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioic acid S-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino] ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(N=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H28N4O4S/c1-14-10-19(20(29-5)22-15(14)2)23-30-21(26)25-8-6-24(7-9-25)16-11-17(27-3)13-18(12-16)28-4/h10-13,23H,6-9H2,1-5H3