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

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N

InChI

InChI=1S/C20H19N3O4S/c1-12(2)17(18(24)23-20(22)26)27-19(25)14-8-4-6-10-16(14)28-15-9-5-3-7-13(15)11-21/h3-10,12,17H,1-2H3,(H3,22,23,24,26)