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

Systemtic Name: S-[(2-methoxy-5,6-dimethyl-pyridin-3-yl)amino] 4-(3,5-dinitrophenyl)piperazine-1-carbothioate Openeye Name: S-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino] 4-(3,5-dinitrophenyl)piperazine-1-carbothioate CAS Name: 4-(3,5-dinitrophenyl)-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-dinitrophenyl)piperazine-1-carbothioate Traditional Name: 4-(3,5-dinitrophenyl)piperazine-1-carbothioic acid S-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino] ester Formula: C19H22N6O6S MolecularWeight: 462.47958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O6S/c1-12-8-17(18(31-3)20-13(12)2)21-32-19(26)23-6-4-22(5-7-23)14-9-15(24(27)28)11-16(10-14)25(29)30/h8-11,21H,4-7H2,1-3H3