dipropan-2-yl 5-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(2-methoxy-4-nitrophenyl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C(=O)OC(C)C

InChI

InChI=1S/C22H25N3O7S/c1-12(2)31-20(26)14-8-15(21(27)32-13(3)4)10-16(9-14)23-22(33)24-18-7-6-17(25(28)29)11-19(18)30-5/h6-13H,1-5H3,(H2,23,24,33)