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

Systemtic Name: S-methyl 3-[4-[(2-methoxy-5,6-dimethyl-pyridin-3-yl)amino]piperazin-1-yl]-5-methyl-benzenecarbothioate Openeye Name: S-methyl 3-[4-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino]piperazin-1-yl]-5-methyl-benzenecarbothioate CAS Name: 3-[4-[(2-methoxy-5,6-dimethyl-3-pyridinyl)amino]-1-piperazinyl]-5-methylbenzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 3-[4-[(2-methoxy-5,6-dimethylpyridin-3-yl)amino]piperazin-1-yl]-5-methylbenzenecarbothioate Traditional Name: 3-[4-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino]piperazino]-5-methyl-thiobenzoic acid S-methyl ester Formula: C21H28N4O2S MolecularWeight: 400.53762

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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)C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-14-10-17(21(26)28-5)13-18(11-14)24-6-8-25(9-7-24)23-19-12-15(2)16(3)22-20(19)27-4/h10-13,23H,6-9H2,1-5H3