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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O)[N+](=O)[O-]

InChI

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