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

Systemtic Name: S-[(5-ethanoyl-2-methoxy-6-methyl-pyridin-3-yl)amino] 4-(3-hydroxyphenyl)piperazine-1-carbothioate Openeye Name: S-[(5-acetyl-2-methoxy-6-methyl-3-pyridyl)amino] 4-(3-hydroxyphenyl)piperazine-1-carbothioate CAS Name: 4-(3-hydroxyphenyl)-1-piperazinecarbothioic acid S-[(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)amino] ester IUPAC Name: S-[(5-acetyl-2-methoxy-6-methylpyridin-3-yl)amino] 4-(3-hydroxyphenyl)piperazine-1-carbothioate Traditional Name: 4-(3-hydroxyphenyl)piperazine-1-carbothioic acid S-[(5-acetyl-2-methoxy-6-methyl-3-pyridyl)amino] ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S/c1-13-17(14(2)25)12-18(19(21-13)28-3)22-29-20(27)24-9-7-23(8-10-24)15-5-4-6-16(26)11-15/h4-6,11-12,22,26H,7-10H2,1-3H3