3-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-(1-isobutyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]amino]propanamide CAS Name: 3-[[2-[[4,5-dimethyl-1-(2-methylpropyl)-2-imidazolyl]thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[(1-isobutyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]amino]propionamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)N(CCC(=O)N)CC2=CC=CC=C2)CC(C)C)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)N(CCC(=O)N)CC2=CC=CC=C2)CC(C)C)C

InChI

InChI=1S/C21H30N4O2S/c1-15(2)12-25-17(4)16(3)23-21(25)28-14-20(27)24(11-10-19(22)26)13-18-8-6-5-7-9-18/h5-9,15H,10-14H2,1-4H3,(H2,22,26)