3-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 3-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoylamino]-N,N-diethyl-benzamide Openeye Name: 3-[[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]amino]-N,N-diethyl-benzamide CAS Name: 3-[[2-[[1-(4-bromophenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]amino]-N,N-diethylbenzamide Traditional Name: 3-[[2-[[1-(4-bromophenyl)imidazol-2-yl]thio]acetyl]amino]-N,N-diethyl-benzamide Formula: C22H23BrN4O2S MolecularWeight: 487.41262

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC=CN2C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN4O2S/c1-3-26(4-2)21(29)16-6-5-7-18(14-16)25-20(28)15-30-22-24-12-13-27(22)19-10-8-17(23)9-11-19/h5-14H,3-4,15H2,1-2H3,(H,25,28)