ethyl N-[5-chloranyl-2-(pentan-3-ylcarbamothioylsulfamoyl)thiophen-3-yl]carbamate

Systemtic Name: ethyl N-[5-chloranyl-2-(pentan-3-ylcarbamothioylsulfamoyl)thiophen-3-yl]carbamate Openeye Name: ethyl N-[5-chloro-2-(1-ethylpropylcarbamothioylsulfamoyl)-3-thienyl]carbamate CAS Name: N-[5-chloro-2-[[(pentan-3-ylamino)-sulfanylidenemethyl]sulfamoyl]-3-thiophenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[5-chloro-2-(pentan-3-ylcarbamothioylsulfamoyl)thiophen-3-yl]carbamate Traditional Name: N-[5-chloro-2-(1-ethylpropylthiocarbamoylsulfamoyl)-3-thienyl]carbamic acid ethyl ester Formula: C13H20ClN3O4S3 MolecularWeight: 413.9636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=S)NS(=O)(=O)C1=C(C=C(S1)Cl)NC(=O)OCC

Isomeric SMILES

CCC(CC)NC(=S)NS(=O)(=O)C1=C(C=C(S1)Cl)NC(=O)OCC

InChI

InChI=1S/C13H20ClN3O4S3/c1-4-8(5-2)15-12(22)17-24(19,20)11-9(7-10(14)23-11)16-13(18)21-6-3/h7-8H,4-6H2,1-3H3,(H,16,18)(H2,15,17,22)