ethyl 3-[[2,6-bis(chloranyl)phenyl]carbamothioylamino]propanoate

Systemtic Name: ethyl 3-[[2,6-bis(chloranyl)phenyl]carbamothioylamino]propanoate Openeye Name: ethyl 3-[(2,6-dichlorophenyl)carbamothioylamino]propanoate CAS Name: 3-[[(2,6-dichloroanilino)-sulfanylidenemethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2,6-dichlorophenyl)carbamothioylamino]propanoate Traditional Name: 3-[(2,6-dichlorophenyl)thiocarbamoylamino]propionic acid ethyl ester Formula: C12H14Cl2N2O2S MolecularWeight: 321.22276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=S)NC1=C(C=CC=C1Cl)Cl

Isomeric SMILES

CCOC(=O)CCNC(=S)NC1=C(C=CC=C1Cl)Cl

InChI

InChI=1S/C12H14Cl2N2O2S/c1-2-18-10(17)6-7-15-12(19)16-11-8(13)4-3-5-9(11)14/h3-5H,2,6-7H2,1H3,(H2,15,16,19)