2-[4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(2-methoxy-4-nitrophenyl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]phenyl]acetic acid Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C16H15N3O5S/c1-24-14-9-12(19(22)23)6-7-13(14)18-16(25)17-11-4-2-10(3-5-11)8-15(20)21/h2-7,9H,8H2,1H3,(H,20,21)(H2,17,18,25)