[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C20H18N2O7S MolecularWeight: 430.43112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C20H18N2O7S/c1-10(2)17(18(24)22-20(21)26)29-19(25)11-7-8-13-15(9-11)30(27,28)14-6-4-3-5-12(14)16(13)23/h3-10,17H,1-2H3,(H3,21,22,24,26)