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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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