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

Systemtic Name: S-methyl 1-[(2-methoxy-5,6-dimethyl-pyridin-3-yl)amino]-4-phenyl-piperazine-2-carbothioate Openeye Name: S-methyl 1-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino]-4-phenyl-piperazine-2-carbothioate CAS Name: 1-[(2-methoxy-5,6-dimethyl-3-pyridinyl)amino]-4-phenyl-2-piperazinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 1-[(2-methoxy-5,6-dimethylpyridin-3-yl)amino]-4-phenylpiperazine-2-carbothioate Traditional Name: 1-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino]-4-phenyl-piperazine-2-carbothioic 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(CC2C(=O)SC)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N=C1C)OC)NN2CCN(CC2C(=O)SC)C3=CC=CC=C3

InChI

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