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

Systemtic Name: S-[(2-methoxy-5,6-dimethyl-pyridin-3-yl)amino] 4-(4-butylphenyl)piperazine-1-carbothioate Openeye Name: S-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino] 4-(4-butylphenyl)piperazine-1-carbothioate CAS Name: 4-(4-butylphenyl)-1-piperazinecarbothioic acid S-[(2-methoxy-5,6-dimethyl-3-pyridinyl)amino] ester IUPAC Name: S-[(2-methoxy-5,6-dimethylpyridin-3-yl)amino] 4-(4-butylphenyl)piperazine-1-carbothioate Traditional Name: 4-(4-butylphenyl)piperazine-1-carbothioic acid S-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino] ester Formula: C23H32N4O2S MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2CCN(CC2)C(=O)SNC3=C(N=C(C(=C3)C)C)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2CCN(CC2)C(=O)SNC3=C(N=C(C(=C3)C)C)OC

InChI

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