ethanoic acid; S-ethyl N,N-bis(2-methylpropyl)carbamothioate

Systemtic Name: ethanoic acid; S-ethyl N,N-bis(2-methylpropyl)carbamothioate Openeye Name: acetic acid; S-ethyl N,N-diisobutylcarbamothioate CAS Name: acetic acid; N,N-bis(2-methylpropyl)carbamothioic acid S-ethyl ester IUPAC Name: acetic acid; S-ethyl N,N-bis(2-methylpropyl)carbamothioate Traditional Name: acetic acid; N,N-diisobutylthiocarbamic acid S-ethyl ester Formula: C13H27NO3S MolecularWeight: 277.42338

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)N(CC(C)C)CC(C)C.CC(=O)O

Isomeric SMILES

CCSC(=O)N(CC(C)C)CC(C)C.CC(=O)O

InChI

InChI=1S/C11H23NOS.C2H4O2/c1-6-14-11(13)12(7-9(2)3)8-10(4)5;1-2(3)4/h9-10H,6-8H2,1-5H3;1H3,(H,3,4)