2-methyl-3-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]benzoic acid

Systemtic Name: 2-methyl-3-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]benzoic acid Openeye Name: 2-methyl-3-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 2-methyl-3-[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 2-methyl-3-[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H15N3O6S/c1-10-13(16(22)23)3-2-4-14(10)18-17(27)19-15(21)9-26-12-7-5-11(6-8-12)20(24)25/h2-8H,9H2,1H3,(H,22,23)(H2,18,19,21,27)