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

Systemtic Name: 3-[2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]amino]propanamide CAS Name: 3-[[2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[(1-butyl-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:

CCCCN1C(=C(N=C1SCC(=O)N(CCC(=O)N)CC2=CC=CC=C2)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC(=O)N(CCC(=O)N)CC2=CC=CC=C2)C)C

InChI

InChI=1S/C21H30N4O2S/c1-4-5-12-25-17(3)16(2)23-21(25)28-15-20(27)24(13-11-19(22)26)14-18-9-7-6-8-10-18/h6-10H,4-5,11-15H2,1-3H3,(H2,22,26)