4-[2-[2-(3-bromanylphenoxy)ethylsulfanyl]ethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 4-[2-[2-(3-bromanylphenoxy)ethylsulfanyl]ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 4-[[2-[2-(3-bromophenoxy)ethylsulfanyl]acetyl]amino]-N,N-diethyl-benzamide CAS Name: 4-[[2-[2-(3-bromophenoxy)ethylthio]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 4-[[2-[2-(3-bromophenoxy)ethylsulfanyl]acetyl]amino]-N,N-diethylbenzamide Traditional Name: 4-[[2-[2-(3-bromophenoxy)ethylthio]acetyl]amino]-N,N-diethyl-benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSCCOC2=CC(=CC=C2)Br

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C21H25BrN2O3S/c1-3-24(4-2)21(26)16-8-10-18(11-9-16)23-20(25)15-28-13-12-27-19-7-5-6-17(22)14-19/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,23,25)