(4,5-dimethoxy-2-nitro-phenyl)methyl N-[2-(2,5-dimethoxyphenyl)ethylcarbamothioylamino]carbamate

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl N-[2-(2,5-dimethoxyphenyl)ethylcarbamothioylamino]carbamate Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)methyl N-[2-(2,5-dimethoxyphenyl)ethylcarbamothioylamino]carbamate CAS Name: N-[[[2-(2,5-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]amino]carbamic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl N-[2-(2,5-dimethoxyphenyl)ethylcarbamothioylamino]carbamate Traditional Name: N-[2-(2,5-dimethoxyphenyl)ethylthiocarbamoylamino]carbamic acid (4,5-dimethoxy-2-nitro-benzyl) ester Formula: C21H26N4O8S MolecularWeight: 494.51814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCNC(=S)NNC(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCNC(=S)NNC(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H26N4O8S/c1-29-15-5-6-17(30-2)13(9-15)7-8-22-20(34)23-24-21(26)33-12-14-10-18(31-3)19(32-4)11-16(14)25(27)28/h5-6,9-11H,7-8,12H2,1-4H3,(H,24,26)(H2,22,23,34)