2-[4-[(2-methyl-3-nitro-phenyl)carbamothioylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(2-methyl-3-nitro-phenyl)carbamothioylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[(2-methyl-3-nitro-phenyl)carbamothioylamino]phenyl]acetic acid CAS Name: 2-[4-[[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(2-methyl-3-nitrophenyl)carbamothioylamino]phenyl]acetic acid Traditional Name: 2-[4-[(2-methyl-3-nitro-phenyl)thiocarbamoylamino]phenyl]acetic acid Formula: C16H15N3O4S MolecularWeight: 345.373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)CC(=O)O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C16H15N3O4S/c1-10-13(3-2-4-14(10)19(22)23)18-16(24)17-12-7-5-11(6-8-12)9-15(20)21/h2-8H,9H2,1H3,(H,20,21)(H2,17,18,24)