AC1LQQ3J

methyl 2-[(4-bromobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Also Known As: methyl 2-(3-(4-bromobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-({[(4-bromophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-[(4-bromobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|Methyl 2-[(4-bromobenzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate

Molecular Formula	C18H17BrN2O3S2
Molecular Weight	451.9864 g/mol
LogP	4.3028
Topological Polar Surface Area	67.43 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	451.9864
Monoisotopic Mass	451.9864
Heavy Atoms	26
Complexity	862.0663

Chemical Identifiers

CAS Number	370575-35-2
SMILES	COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC=C(C=C3)Br