methyl 2-[2-[(3-chlorophenyl)carbonylcarbamothioylamino]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[(3-chlorophenyl)carbonylcarbamothioylamino]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[(3-chlorobenzoyl)carbamothioylamino]acetyl]amino]acetate CAS Name: 2-[[2-[[[[(3-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(3-chlorobenzoyl)carbamothioylamino]acetyl]amino]acetate Traditional Name: 2-[[2-[(3-chlorobenzoyl)thiocarbamoylamino]acetyl]amino]acetic acid methyl ester Formula: C13H14ClN3O4S MolecularWeight: 343.78596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CNC(=S)NC(=O)C1=CC(=CC=C1)Cl

Isomeric SMILES

COC(=O)CNC(=O)CNC(=S)NC(=O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C13H14ClN3O4S/c1-21-11(19)7-15-10(18)6-16-13(22)17-12(20)8-3-2-4-9(14)5-8/h2-5H,6-7H2,1H3,(H,15,18)(H2,16,17,20,22)