N-[(4-dimethylaminophenyl)methyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-[4-(dimethylamino)benzyl]-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H25N5O2S/c1-26(2)19-10-4-16(5-11-19)14-24-21(29)17-6-8-18(9-7-17)25-20(28)15-30-22-23-12-13-27(22)3/h4-13H,14-15H2,1-3H3,(H,24,29)(H,25,28)