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

Systemtic Name: 4-methyl-3-[(2-nitrophenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-methyl-3-[(2-nitrobenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-methyl-3-[[[[(2-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(2-nitrobenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-methyl-3-[(2-nitrobenzoyl)thiocarbamoylamino]benzoic acid Formula: C16H13N3O5S MolecularWeight: 359.35652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O5S/c1-9-6-7-10(15(21)22)8-12(9)17-16(25)18-14(20)11-4-2-3-5-13(11)19(23)24/h2-8H,1H3,(H,21,22)(H2,17,18,20,25)