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

Systemtic Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-[2-(diethylaminomethyl)benzyl]-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C25H31N5O2S/c1-4-30(5-2)17-21-9-7-6-8-20(21)16-27-24(32)19-10-12-22(13-11-19)28-23(31)18-33-25-26-14-15-29(25)3/h6-15H,4-5,16-18H2,1-3H3,(H,27,32)(H,28,31)