ethyl 4-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(2-chloro-5-methylsulfanyl-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-chloro-5-methylsulfanylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[[2-chloro-5-(methylthio)benzoyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H17ClN2O3S2 MolecularWeight: 408.92218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C18H17ClN2O3S2/c1-3-24-17(23)11-4-6-12(7-5-11)20-18(25)21-16(22)14-10-13(26-2)8-9-15(14)19/h4-10H,3H2,1-2H3,(H2,20,21,22,25)