S-(1,2-oxazol-3-ylmethyl) N-butan-2-yl-N-propyl-carbamothioate

Systemtic Name: S-(1,2-oxazol-3-ylmethyl) N-butan-2-yl-N-propyl-carbamothioate Openeye Name: S-(isoxazol-3-ylmethyl) N-propyl-N-sec-butyl-carbamothioate CAS Name: N-butan-2-yl-N-propylcarbamothioic acid S-(3-isoxazolylmethyl) ester IUPAC Name: S-(1,2-oxazol-3-ylmethyl) N-butan-2-yl-N-propylcarbamothioate Traditional Name: N-propyl-N-sec-butyl-thiocarbamic acid S-(isoxazol-3-ylmethyl) ester Formula: C12H20N2O2S MolecularWeight: 256.3644

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(C)CC)C(=O)SCC1=NOC=C1

Isomeric SMILES

CCCN(C(C)CC)C(=O)SCC1=NOC=C1

InChI

InChI=1S/C12H20N2O2S/c1-4-7-14(10(3)5-2)12(15)17-9-11-6-8-16-13-11/h6,8,10H,4-5,7,9H2,1-3H3