ethyl 4-[[2-(4-methyl-2-nitro-phenoxy)propanoylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-(4-methyl-2-nitro-phenoxy)propanoylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-(4-methyl-2-nitro-phenoxy)propanoylamino]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(4-methyl-2-nitrophenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-methyl-2-nitrophenoxy)propanoylamino]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-methyl-2-nitro-phenoxy)propanoylamino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C(C)OC2=C(C=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6S/c1-4-29-19(26)14-6-8-15(9-7-14)21-20(31)23-22-18(25)13(3)30-17-10-5-12(2)11-16(17)24(27)28/h5-11,13H,4H2,1-3H3,(H,22,25)(H2,21,23,31)