4-methyl-3-[(3-nitrophenyl)carbamothioylamino]benzoic acid

Systemtic Name: 4-methyl-3-[(3-nitrophenyl)carbamothioylamino]benzoic acid Openeye Name: 4-methyl-3-[(3-nitrophenyl)carbamothioylamino]benzoic acid CAS Name: 4-methyl-3-[[(3-nitroanilino)-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(3-nitrophenyl)carbamothioylamino]benzoic acid Traditional Name: 4-methyl-3-[(3-nitrophenyl)thiocarbamoylamino]benzoic acid Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S/c1-9-5-6-10(14(19)20)7-13(9)17-15(23)16-11-3-2-4-12(8-11)18(21)22/h2-8H,1H3,(H,19,20)(H2,16,17,23)