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

Systemtic Name: S-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-pyridin-3-yl] 1-azanyl-4-phenyl-piperazine-2-carbothioate Openeye Name: S-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridyl] 1-amino-4-phenyl-piperazine-2-carbothioate CAS Name: 1-amino-4-phenyl-2-piperazinecarbothioic acid S-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl] ester IUPAC Name: S-[5-(1-hydroxyethyl)-2-methoxy-6-methylpyridin-3-yl] 1-amino-4-phenylpiperazine-2-carbothioate Traditional Name: 1-amino-4-phenyl-piperazine-2-carbothioic acid S-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridyl] ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1C(C)O)SC(=O)C2CN(CCN2N)C3=CC=CC=C3)OC

Isomeric SMILES

CC1=NC(=C(C=C1C(C)O)SC(=O)C2CN(CCN2N)C3=CC=CC=C3)OC

InChI

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