3-[[2,5-bis(chloranyl)phenyl]carbamothioylamino]propanoate

Systemtic Name: 3-[[2,5-bis(chloranyl)phenyl]carbamothioylamino]propanoate Openeye Name: 3-[(2,5-dichlorophenyl)carbamothioylamino]propanoate CAS Name: 3-[[(2,5-dichloroanilino)-sulfanylidenemethyl]amino]propanoate IUPAC Name: 3-[(2,5-dichlorophenyl)carbamothioylamino]propanoate Traditional Name: 3-[(2,5-dichlorophenyl)thiocarbamoylamino]propionate Formula: C10H9Cl2N2O2S- MolecularWeight: 292.16166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=S)NCCC(=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=S)NCCC(=O)[O-])Cl

InChI

InChI=1S/C10H10Cl2N2O2S/c11-6-1-2-7(12)8(5-6)14-10(17)13-4-3-9(15)16/h1-2,5H,3-4H2,(H,15,16)(H2,13,14,17)/p-1