S-[2-(6-methoxypyridin-3-yl)-1-phenyl-imidazol-4-yl] 4-methylpiperazine-1-carbothioate

Systemtic Name: S-[2-(6-methoxypyridin-3-yl)-1-phenyl-imidazol-4-yl] 4-methylpiperazine-1-carbothioate Openeye Name: S-[2-(6-methoxy-3-pyridyl)-1-phenyl-imidazol-4-yl] 4-methylpiperazine-1-carbothioate CAS Name: 4-methyl-1-piperazinecarbothioic acid S-[2-(6-methoxy-3-pyridinyl)-1-phenyl-4-imidazolyl] ester IUPAC Name: S-[2-(6-methoxypyridin-3-yl)-1-phenylimidazol-4-yl] 4-methylpiperazine-1-carbothioate Traditional Name: 4-methylpiperazine-1-carbothioic acid S-[2-(6-methoxy-3-pyridyl)-1-phenyl-imidazol-4-yl] ester Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)SC2=CN(C(=N2)C3=CN=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)SC2=CN(C(=N2)C3=CN=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O2S/c1-24-10-12-25(13-11-24)21(27)29-19-15-26(17-6-4-3-5-7-17)20(23-19)16-8-9-18(28-2)22-14-16/h3-9,14-15H,10-13H2,1-2H3