methyl 6-[[2,3-bis(chloranyl)phenyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[2,3-bis(chloranyl)phenyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2,3-dichlorophenyl)carbamothioylamino]hexanoate CAS Name: 6-[[(2,3-dichloroanilino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2,3-dichlorophenyl)carbamothioylamino]hexanoate Traditional Name: 6-[(2,3-dichlorophenyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H18Cl2N2O2S MolecularWeight: 349.27592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=C(C(=CC=C1)Cl)Cl

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=C(C(=CC=C1)Cl)Cl

InChI

InChI=1S/C14H18Cl2N2O2S/c1-20-12(19)8-3-2-4-9-17-14(21)18-11-7-5-6-10(15)13(11)16/h5-7H,2-4,8-9H2,1H3,(H2,17,18,21)