[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 2-(4-bromo-2-methyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2-methylphenyl)thio]acetic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-bromo-2-methylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]acetic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C15H19BrN2O4S MolecularWeight: 403.29136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)OC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)OC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C15H19BrN2O4S/c1-8(2)13(14(20)18-15(17)21)22-12(19)7-23-11-5-4-10(16)6-9(11)3/h4-6,8,13H,7H2,1-3H3,(H3,17,18,20,21)