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

Systemtic Name: tert-butyl 3-[[3,5-bis(chloranyl)phenyl]carbamothioylamino]propanoate Openeye Name: tert-butyl 3-[(3,5-dichlorophenyl)carbamothioylamino]propanoate CAS Name: 3-[[(3,5-dichloroanilino)-sulfanylidenemethyl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(3,5-dichlorophenyl)carbamothioylamino]propanoate Traditional Name: 3-[(3,5-dichlorophenyl)thiocarbamoylamino]propionic acid tert-butyl ester Formula: C14H18Cl2N2O2S MolecularWeight: 349.27592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNC(=S)NC1=CC(=CC(=C1)Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CCNC(=S)NC1=CC(=CC(=C1)Cl)Cl

InChI

InChI=1S/C14H18Cl2N2O2S/c1-14(2,3)20-12(19)4-5-17-13(21)18-11-7-9(15)6-10(16)8-11/h6-8H,4-5H2,1-3H3,(H2,17,18,21)