[1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C(=O)NC(=O)N)OC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C20H18N4O5S/c1-12(18(26)24-20(22)28)29-19(27)15-7-2-3-8-16(15)30-11-17(25)23-14-6-4-5-13(9-14)10-21/h2-9,12H,11H2,1H3,(H,23,25)(H3,22,24,26,28)