4-methyl-3-[(3-nitrophenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 4-methyl-3-[(3-nitrophenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 4-methyl-3-[(3-nitrobenzoyl)carbamothioylamino]benzoate CAS Name: 4-methyl-3-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-methyl-3-[(3-nitrobenzoyl)carbamothioylamino]benzoate Traditional Name: 4-methyl-3-[(3-nitrobenzoyl)thiocarbamoylamino]benzoate Formula: C16H12N3O5S- MolecularWeight: 358.34858

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