4-[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]ethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 4-[2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 4-[[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]acetyl]amino]-N,N-diethyl-benzamide CAS Name: 4-[[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 4-[[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]acetyl]amino]-N,N-diethylbenzamide Traditional Name: 4-[[2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]acetyl]amino]-N,N-diethyl-benzamide Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C22H25BrN2O4S/c1-3-25(4-2)22(27)15-5-7-17(8-6-15)24-21(26)14-30-13-16-11-19-20(12-18(16)23)29-10-9-28-19/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H,24,26)