3-(4-iodophenyl)-2-[(4-nitrophenyl)carbamothioylamino]propanoic acid

Systemtic Name: 3-(4-iodophenyl)-2-[(4-nitrophenyl)carbamothioylamino]propanoic acid Openeye Name: 3-(4-iodophenyl)-2-[(4-nitrophenyl)carbamothioylamino]propanoic acid CAS Name: 3-(4-iodophenyl)-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 3-(4-iodophenyl)-2-[(4-nitrophenyl)carbamothioylamino]propanoic acid Traditional Name: 3-(4-iodophenyl)-2-[(4-nitrophenyl)thiocarbamoylamino]propionic acid Formula: C16H14IN3O4S MolecularWeight: 471.26953

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])I

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])I

InChI

InChI=1S/C16H14IN3O4S/c17-11-3-1-10(2-4-11)9-14(15(21)22)19-16(25)18-12-5-7-13(8-6-12)20(23)24/h1-8,14H,9H2,(H,21,22)(H2,18,19,25)