4-methoxy-3-[(2-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-methoxy-3-[(2-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-methoxy-3-[(2-methyl-3-nitro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 4-methoxy-3-[[[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-[(2-methyl-3-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-methoxy-3-[(2-methyl-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid Formula: C17H15N3O6S MolecularWeight: 389.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)OC

InChI

InChI=1S/C17H15N3O6S/c1-9-11(4-3-5-13(9)20(24)25)15(21)19-17(27)18-12-8-10(16(22)23)6-7-14(12)26-2/h3-8H,1-2H3,(H,22,23)(H2,18,19,21,27)