[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 4-(aminocarbonylamino)benzoate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 4-(aminocarbonylamino)benzoate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 4-ureidobenzoate CAS Name: 4-(carbamoylamino)benzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 4-(carbamoylamino)benzoate Traditional Name: 4-ureidobenzoic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C19H19N3O5S MolecularWeight: 401.43626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)N)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)NC(=O)N)SC

InChI

InChI=1S/C19H19N3O5S/c1-11(23)21-15-9-13(5-8-17(15)28-2)16(24)10-27-18(25)12-3-6-14(7-4-12)22-19(20)26/h3-9H,10H2,1-2H3,(H,21,23)(H3,20,22,26)