ethyl 2-[(3-chlorophenyl)carbonylcarbamothioylamino]hexanoate

Systemtic Name: ethyl 2-[(3-chlorophenyl)carbonylcarbamothioylamino]hexanoate Openeye Name: ethyl 2-[(3-chlorobenzoyl)carbamothioylamino]hexanoate CAS Name: 2-[[[[(3-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[(3-chlorobenzoyl)carbamothioylamino]hexanoate Traditional Name: 2-[(3-chlorobenzoyl)thiocarbamoylamino]hexanoic acid ethyl ester Formula: C16H21ClN2O3S MolecularWeight: 356.86754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)NC(=S)NC(=O)C1=CC(=CC=C1)Cl

Isomeric SMILES

CCCCC(C(=O)OCC)NC(=S)NC(=O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C16H21ClN2O3S/c1-3-5-9-13(15(21)22-4-2)18-16(23)19-14(20)11-7-6-8-12(17)10-11/h6-8,10,13H,3-5,9H2,1-2H3,(H2,18,19,20,23)