[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)C1=CC=CC=C1SCC(=O)N

Isomeric SMILES

CC(C(=O)NC(=O)N)OC(=O)C1=CC=CC=C1SCC(=O)N

InChI

InChI=1S/C13H15N3O5S/c1-7(11(18)16-13(15)20)21-12(19)8-4-2-3-5-9(8)22-6-10(14)17/h2-5,7H,6H2,1H3,(H2,14,17)(H3,15,16,18,20)