AC1M3GDW

methyl 3-chloro-6-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Also Known As: methyl 3-chloro-6-({[(2-cyclohex-1-enylethyl)amino]thioxomethyl}amino)benzo[b] thiophene-2-carboxylate|methyl 3-chloro-6-({[2-(cyclohex-1-en-1-yl)ethyl]carbamothioyl}amino)-1-benzothiophene-2-carboxylate|methyl 3-chloro-6-(3-(2-(cyclohex-1-en-1-yl)ethyl)thioureido)benzo[b]thiophene-2-carboxylate|methyl 3-chloro-6-[2-(cyclohexen-1-yl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Molecular Formula	C19H21ClN2O2S2
Molecular Weight	408.0733 g/mol
LogP	5.5182
Topological Polar Surface Area	50.36 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	408.0733
Monoisotopic Mass	408.0733
Heavy Atoms	26
Complexity	860.5863

Chemical Identifiers

CAS Number	708243-50-9
SMILES	COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCCC3=CCCCC3)Cl