AC1MD2KH

2-nitro-N-[2,2,2-trichloro-1-[(3-methylphenyl)carbamothioylamino]ethyl]benzamide

Also Known As: CBDivE_009780|2-nitro-N-(2,2,2-trichloro-1-{[(3-methylphenyl)carbamothioyl]amino}ethyl)benzamide|F0095-1009|2-nitro-N-(2,2,2-trichloro-1-(3-(m-tolyl)thioureido)ethyl)benzamide|2-nitro-N-[2,2,2-trichloro-1-[(3-methylphenyl)carbamothioylamino]ethyl]benzamide|2-nitro-N-[2,2,2-trichloro-1-({[(3-methylphenyl)amino]carbonothioyl}amino)ethyl]benzamide

Molecular Formula	C17H15Cl3N4O3S
Molecular Weight	459.99304 g/mol
LogP	4.31592
Topological Polar Surface Area	96.3 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	459.99304
Monoisotopic Mass	459.99304
Heavy Atoms	28
Complexity	905.2115

Chemical Identifiers

CAS Number	294657-58-2
SMILES	CC1=CC(=CC=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2[N+](=O)[O-]