methyl 2-[2-[(2-chlorophenyl)carbonylcarbamothioylamino]ethanoylamino]hexanoate

Systemtic Name: methyl 2-[2-[(2-chlorophenyl)carbonylcarbamothioylamino]ethanoylamino]hexanoate Openeye Name: methyl 2-[[2-[(2-chlorobenzoyl)carbamothioylamino]acetyl]amino]hexanoate CAS Name: 2-[[2-[[[[(2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-chlorobenzoyl)carbamothioylamino]acetyl]amino]hexanoate Traditional Name: 2-[[2-[(2-chlorobenzoyl)thiocarbamoylamino]acetyl]amino]hexanoic acid methyl ester Formula: C17H22ClN3O4S MolecularWeight: 399.89228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC(=O)C1=CC=CC=C1Cl

Isomeric SMILES

CCCCC(C(=O)OC)NC(=O)CNC(=S)NC(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C17H22ClN3O4S/c1-3-4-9-13(16(24)25-2)20-14(22)10-19-17(26)21-15(23)11-7-5-6-8-12(11)18/h5-8,13H,3-4,9-10H2,1-2H3,(H,20,22)(H2,19,21,23,26)