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

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

Systemtic Name:S-[(5-ethyl-2-methoxy-6-methyl-pyridin-3-yl)amino] 4-(3,5-dinitrophenyl)piperazine-1-carbothioate
Openeye Name:S-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino] 4-(3,5-dinitrophenyl)piperazine-1-carbothioate
CAS Name:4-(3,5-dinitrophenyl)-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-(3,5-dinitrophenyl)piperazine-1-carbothioate
Traditional Name:4-(3,5-dinitrophenyl)piperazine-1-carbothioic acid S-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino] ester
Formula: C20H24N6O6S
MolecularWeight: 476.50616
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(N=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

CCC1=CC(=C(N=C1C)OC)NSC(=O)N2CCN(CC2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C20H24N6O6S/c1-4-14-9-18(19(32-3)21-13(14)2)22-33-20(27)24-7-5-23(6-8-24)15-10-16(25(28)29)12-17(11-15)26(30)31/h9-12,22H,4-8H2,1-3H3


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