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

Systemtic Name: S-methyl 4-[4-[4-[(2-methoxy-5,6-dimethyl-pyridin-3-yl)amino]piperazin-1-yl]phenyl]butanethioate Openeye Name: S-methyl 4-[4-[4-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino]piperazin-1-yl]phenyl]butanethioate CAS Name: 4-[4-[4-[(2-methoxy-5,6-dimethyl-3-pyridinyl)amino]-1-piperazinyl]phenyl]butanethioic acid S-methyl ester IUPAC Name: S-methyl 4-[4-[4-[(2-methoxy-5,6-dimethylpyridin-3-yl)amino]piperazin-1-yl]phenyl]butanethioate Traditional Name: 4-[4-[4-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino]piperazino]phenyl]butanethioic acid S-methyl ester Formula: C23H32N4O2S MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O2S/c1-17-16-21(23(29-3)24-18(17)2)25-27-14-12-26(13-15-27)20-10-8-19(9-11-20)6-5-7-22(28)30-4/h8-11,16,25H,5-7,12-15H2,1-4H3