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

Systemtic Name: 2-[(4-nitrophenyl)methyl-(phenylcarbonylcarbamothioyl)amino]propanoic acid Openeye Name: 2-[benzoylcarbamothioyl-[(4-nitrophenyl)methyl]amino]propanoic acid CAS Name: 2-[[benzamido(sulfanylidene)methyl]-[(4-nitrophenyl)methyl]amino]propanoic acid IUPAC Name: 2-[benzoylcarbamothioyl-[(4-nitrophenyl)methyl]amino]propanoic acid Traditional Name: 2-[benzoylthiocarbamoyl-(4-nitrobenzyl)amino]propionic acid Formula: C18H17N3O5S MolecularWeight: 387.40968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-12(17(23)24)20(11-13-7-9-15(10-8-13)21(25)26)18(27)19-16(22)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,23,24)(H,19,22,27)