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

Systemtic Name: S-[(2-methoxy-5,6-dimethyl-pyridin-3-yl)amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate Openeye Name: S-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate CAS Name: 4-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)piperazine-1-carbothioate Traditional Name: 4-(3,5-dimethylphenyl)piperazine-1-carbothioic acid S-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino] ester Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=C(N=C(C(=C3)C)C)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=C(N=C(C(=C3)C)C)OC)C

InChI

InChI=1S/C21H28N4O2S/c1-14-10-15(2)12-18(11-14)24-6-8-25(9-7-24)21(26)28-23-19-13-16(3)17(4)22-20(19)27-5/h10-13,23H,6-9H2,1-5H3