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

Systemtic Name: S-methyl 4-[4-[(2-methoxy-5,6-dimethyl-pyridin-3-yl)amino]piperazin-1-yl]benzenecarbothioate Openeye Name: S-methyl 4-[4-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino]piperazin-1-yl]benzenecarbothioate CAS Name: 4-[4-[(2-methoxy-5,6-dimethyl-3-pyridinyl)amino]-1-piperazinyl]benzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-[4-[(2-methoxy-5,6-dimethylpyridin-3-yl)amino]piperazin-1-yl]benzenecarbothioate Traditional Name: 4-[4-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino]piperazino]thiobenzoic acid S-methyl ester Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2S/c1-14-13-18(19(26-3)21-15(14)2)22-24-11-9-23(10-12-24)17-7-5-16(6-8-17)20(25)27-4/h5-8,13,22H,9-12H2,1-4H3