[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: (2-oxo-2-ureido-ethyl) 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid (2-keto-2-ureido-ethyl) ester Formula: C13H15BrN2O4S MolecularWeight: 375.2382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)NC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC(=O)NC(=O)N

InChI

InChI=1S/C13H15BrN2O4S/c1-7-4-10(8(2)3-9(7)14)21-6-12(18)20-5-11(17)16-13(15)19/h3-4H,5-6H2,1-2H3,(H3,15,16,17,19)