2-[(4-nitrophenyl)methyl-(phenylcarbonylcarbamothioyl)amino]ethanoic acid

Systemtic Name: 2-[(4-nitrophenyl)methyl-(phenylcarbonylcarbamothioyl)amino]ethanoic acid Openeye Name: 2-[benzoylcarbamothioyl-[(4-nitrophenyl)methyl]amino]acetic acid CAS Name: 2-[[benzamido(sulfanylidene)methyl]-[(4-nitrophenyl)methyl]amino]acetic acid IUPAC Name: 2-[benzoylcarbamothioyl-[(4-nitrophenyl)methyl]amino]acetic acid Traditional Name: 2-[benzoylthiocarbamoyl-(4-nitrobenzyl)amino]acetic acid Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)N(CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C17H15N3O5S/c21-15(22)11-19(10-12-6-8-14(9-7-12)20(24)25)17(26)18-16(23)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,21,22)(H,18,23,26)