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

Systemtic Name: S-[(5-ethyl-2-methoxy-6-methyl-pyridin-3-yl)amino] 4-(2-ethylphenyl)piperazine-1-carbothioate Openeye Name: S-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino] 4-(2-ethylphenyl)piperazine-1-carbothioate CAS Name: 4-(2-ethylphenyl)-1-piperazinecarbothioic acid S-[(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)amino] ester IUPAC Name: S-[(5-ethyl-2-methoxy-6-methylpyridin-3-yl)amino] 4-(2-ethylphenyl)piperazine-1-carbothioate Traditional Name: 4-(2-ethylphenyl)piperazine-1-carbothioic acid S-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino] ester Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CCN(CC2)C(=O)SNC3=C(N=C(C(=C3)CC)C)OC

Isomeric SMILES

CCC1=CC=CC=C1N2CCN(CC2)C(=O)SNC3=C(N=C(C(=C3)CC)C)OC

InChI

InChI=1S/C22H30N4O2S/c1-5-17-9-7-8-10-20(17)25-11-13-26(14-12-25)22(27)29-24-19-15-18(6-2)16(3)23-21(19)28-4/h7-10,15,24H,5-6,11-14H2,1-4H3