N-[(1R)-2-(dimethylamino)-1-phenyl-ethyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-[(1R)-2-(dimethylamino)-1-phenyl-ethyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-[(1R)-2-(dimethylamino)-1-phenyl-ethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-[(1R)-2-(dimethylamino)-1-phenyl-ethyl]-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N[C@@H](CN(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H27N5O2S/c1-27(2)15-20(17-7-5-4-6-8-17)26-22(30)18-9-11-19(12-10-18)25-21(29)16-31-23-24-13-14-28(23)3/h4-14,20H,15-16H2,1-3H3,(H,25,29)(H,26,30)/t20-/m0/s1