S-methyl 3-[4-[(5-ethanoyl-2-methoxy-6-methyl-pyridin-3-yl)amino]piperazin-1-yl]-5-methyl-benzenecarbothioate

Systemtic Name: S-methyl 3-[4-[(5-ethanoyl-2-methoxy-6-methyl-pyridin-3-yl)amino]piperazin-1-yl]-5-methyl-benzenecarbothioate Openeye Name: S-methyl 3-[4-[(5-acetyl-2-methoxy-6-methyl-3-pyridyl)amino]piperazin-1-yl]-5-methyl-benzenecarbothioate CAS Name: 3-[4-[(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)amino]-1-piperazinyl]-5-methylbenzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 3-[4-[(5-acetyl-2-methoxy-6-methylpyridin-3-yl)amino]piperazin-1-yl]-5-methylbenzenecarbothioate Traditional Name: 3-[4-[(5-acetyl-2-methoxy-6-methyl-3-pyridyl)amino]piperazino]-5-methyl-thiobenzoic acid S-methyl ester Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)SC)N2CCN(CC2)NC3=C(N=C(C(=C3)C(=O)C)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)SC)N2CCN(CC2)NC3=C(N=C(C(=C3)C(=O)C)C)OC

InChI

InChI=1S/C22H28N4O3S/c1-14-10-17(22(28)30-5)12-18(11-14)25-6-8-26(9-7-25)24-20-13-19(16(3)27)15(2)23-21(20)29-4/h10-13,24H,6-9H2,1-5H3