methyl 4-[2-[2,4-bis(chloranyl)phenoxy]propanoylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-[2,4-bis(chloranyl)phenoxy]propanoylcarbamothioylamino]benzoate Openeye Name: methyl 4-[2-(2,4-dichlorophenoxy)propanoylcarbamothioylamino]benzoate CAS Name: 4-[[[[2-(2,4-dichlorophenoxy)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2,4-dichlorophenoxy)propanoylcarbamothioylamino]benzoate Traditional Name: 4-[2-(2,4-dichlorophenoxy)propanoylthiocarbamoylamino]benzoic acid methyl ester Formula: C18H16Cl2N2O4S MolecularWeight: 427.30164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC)OC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC)OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H16Cl2N2O4S/c1-10(26-15-8-5-12(19)9-14(15)20)16(23)22-18(27)21-13-6-3-11(4-7-13)17(24)25-2/h3-10H,1-2H3,(H2,21,22,23,27)