3-[2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanylethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanylethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide CAS Name: 3-[[2-[[1-(3-chloro-2-methylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-[[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]thio]acetyl]amino]propionamide Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C22H23ClN4O2S/c1-16-18(23)8-5-9-19(16)27-13-11-25-22(27)30-15-21(29)26(12-10-20(24)28)14-17-6-3-2-4-7-17/h2-9,11,13H,10,12,14-15H2,1H3,(H2,24,28)