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

Systemtic Name: 4-methyl-3-[(2-methyl-3-nitro-phenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-methyl-3-[(2-methyl-3-nitro-benzoyl)carbamothioylamino]benzoic acid CAS Name: 4-methyl-3-[[[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(2-methyl-3-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-methyl-3-[(2-methyl-3-nitro-benzoyl)thiocarbamoylamino]benzoic acid Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S/c1-9-6-7-11(16(22)23)8-13(9)18-17(26)19-15(21)12-4-3-5-14(10(12)2)20(24)25/h3-8H,1-2H3,(H,22,23)(H2,18,19,21,26)