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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

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