[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5S/c1-10(2)14(15(22)19-17(18)24)25-16(23)11-7-5-6-8-12(11)26-9-13(21)20(3)4/h5-8,10,14H,9H2,1-4H3,(H3,18,19,22,24)