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6-[(3-chlorophenyl)carbamothioylamino]hexanoate

6-[(3-chlorophenyl)carbamothioylamino]hexanoate

Systemtic Name:6-[(3-chlorophenyl)carbamothioylamino]hexanoate
Openeye Name:6-[(3-chlorophenyl)carbamothioylamino]hexanoate
CAS Name:6-[[(3-chloroanilino)-sulfanylidenemethyl]amino]hexanoate
IUPAC Name:6-[(3-chlorophenyl)carbamothioylamino]hexanoate
Traditional Name:6-[(3-chlorophenyl)thiocarbamoylamino]hexanoate
Formula: C13H16ClN2O2S-
MolecularWeight: 299.79634
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC(=S)NCCCCCC(=O)[O-]


Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC(=S)NCCCCCC(=O)[O-]


InChI

InChI=1S/C13H17ClN2O2S/c14-10-5-4-6-11(9-10)16-13(19)15-8-3-1-2-7-12(17)18/h4-6,9H,1-3,7-8H2,(H,17,18)(H2,15,16,19)/p-1


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