3-[2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[1-(oxolan-2-ylmethyl)-5-phenyl-imidazol-2-yl]sulfanylethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-[5-phenyl-1-(tetrahydrofuran-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide CAS Name: 3-[[1-oxo-2-[[1-(2-oxolanylmethyl)-5-phenyl-2-imidazolyl]thio]ethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[[5-phenyl-1-(tetrahydrofurfuryl)imidazol-2-yl]thio]acetyl]amino]propionamide Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=CN=C2SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CN2C(=CN=C2SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c27-24(31)13-14-29(17-20-8-3-1-4-9-20)25(32)19-34-26-28-16-23(21-10-5-2-6-11-21)30(26)18-22-12-7-15-33-22/h1-6,8-11,16,22H,7,12-15,17-19H2,(H2,27,31)