N-[[4-[2-[1-(phenylmethyl)imidazol-2-yl]sulfanylethanoyl]phenyl]methyl]ethanamide

Systemtic Name: N-[[4-[2-[1-(phenylmethyl)imidazol-2-yl]sulfanylethanoyl]phenyl]methyl]ethanamide Openeye Name: N-[[4-[2-(1-benzylimidazol-2-yl)sulfanylacetyl]phenyl]methyl]acetamide CAS Name: N-[[4-[1-oxo-2-[[1-(phenylmethyl)-2-imidazolyl]thio]ethyl]phenyl]methyl]acetamide IUPAC Name: N-[[4-[2-(1-benzylimidazol-2-yl)sulfanylacetyl]phenyl]methyl]acetamide Traditional Name: N-[4-[2-[(1-benzylimidazol-2-yl)thio]acetyl]benzyl]acetamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)C(=O)CSC2=NC=CN2CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)C(=O)CSC2=NC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-16(25)23-13-17-7-9-19(10-8-17)20(26)15-27-21-22-11-12-24(21)14-18-5-3-2-4-6-18/h2-12H,13-15H2,1H3,(H,23,25)