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

Systemtic Name: S-methyl 4-[4-[(5-ethanoyl-2-methoxy-6-methyl-pyridin-3-yl)amino]piperazin-1-yl]benzenecarbothioate Openeye Name: S-methyl 4-[4-[(5-acetyl-2-methoxy-6-methyl-3-pyridyl)amino]piperazin-1-yl]benzenecarbothioate CAS Name: 4-[4-[(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)amino]-1-piperazinyl]benzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-[4-[(5-acetyl-2-methoxy-6-methylpyridin-3-yl)amino]piperazin-1-yl]benzenecarbothioate Traditional Name: 4-[4-[(5-acetyl-2-methoxy-6-methyl-3-pyridyl)amino]piperazino]thiobenzoic acid S-methyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1C(=O)C)NN2CCN(CC2)C3=CC=C(C=C3)C(=O)SC)OC

Isomeric SMILES

CC1=NC(=C(C=C1C(=O)C)NN2CCN(CC2)C3=CC=C(C=C3)C(=O)SC)OC

InChI

InChI=1S/C21H26N4O3S/c1-14-18(15(2)26)13-19(20(22-14)28-3)23-25-11-9-24(10-12-25)17-7-5-16(6-8-17)21(27)29-4/h5-8,13,23H,9-12H2,1-4H3