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

Systemtic Name: S-methyl 1-[(5-ethyl-2-methoxy-6-methyl-pyridin-3-yl)amino]-4-phenyl-piperazine-2-carbothioate Openeye Name: S-methyl 1-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino]-4-phenyl-piperazine-2-carbothioate CAS Name: 1-[(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)amino]-4-phenyl-2-piperazinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 1-[(5-ethyl-2-methoxy-6-methylpyridin-3-yl)amino]-4-phenylpiperazine-2-carbothioate Traditional Name: 1-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino]-4-phenyl-piperazine-2-carbothioic acid S-methyl ester Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(N=C1C)OC)NN2CCN(CC2C(=O)SC)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(N=C1C)OC)NN2CCN(CC2C(=O)SC)C3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S/c1-5-16-13-18(20(27-3)22-15(16)2)23-25-12-11-24(14-19(25)21(26)28-4)17-9-7-6-8-10-17/h6-10,13,19,23H,5,11-12,14H2,1-4H3