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3-[methylcarbamothioyl(2-methylpropyl)carbamoyl]hexanoic acid

3-[methylcarbamothioyl(2-methylpropyl)carbamoyl]hexanoic acid

Systemtic Name:3-[methylcarbamothioyl(2-methylpropyl)carbamoyl]hexanoic acid
Openeye Name:3-[isobutyl(methylcarbamothioyl)carbamoyl]hexanoic acid
CAS Name:3-[[[methylamino(sulfanylidene)methyl]-(2-methylpropyl)amino]-oxomethyl]hexanoic acid
IUPAC Name:3-[methylcarbamothioyl(2-methylpropyl)carbamoyl]hexanoic acid
Traditional Name:3-[isobutyl(methylthiocarbamoyl)carbamoyl]hexanoic acid
Formula: C13H24N2O3S
MolecularWeight: 288.40626
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)O)C(=O)N(CC(C)C)C(=S)NC


Isomeric SMILES

CCCC(CC(=O)O)C(=O)N(CC(C)C)C(=S)NC


InChI

InChI=1S/C13H24N2O3S/c1-5-6-10(7-11(16)17)12(18)15(8-9(2)3)13(19)14-4/h9-10H,5-8H2,1-4H3,(H,14,19)(H,16,17)


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