4-[2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylethanoylamino]benzamide

Systemtic Name: 4-[2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-[4-(hydroxymethyl)-1-(p-tolylmethyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide CAS Name: 4-[[2-[[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]-2-imidazolyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[[1-(4-methylbenzyl)-4-methylol-imidazol-2-yl]thio]acetyl]amino]benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(N=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)CO

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(N=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)CO

InChI

InChI=1S/C21H22N4O3S/c1-14-2-4-15(5-3-14)10-25-11-18(12-26)24-21(25)29-13-19(27)23-17-8-6-16(7-9-17)20(22)28/h2-9,11,26H,10,12-13H2,1H3,(H2,22,28)(H,23,27)