N-[4-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]phenyl]propanamide

Systemtic Name: N-[4-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]phenyl]propanamide Openeye Name: N-[4-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide CAS Name: N-[4-[2-[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]phenyl]propanamide IUPAC Name: N-[4-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide Traditional Name: N-[4-[2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]acetyl]phenyl]propionamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=CN2C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=CN2C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H23N3O2S/c1-4-21(27)24-18-9-7-17(8-10-18)20(26)14-28-22-23-11-12-25(22)19-13-15(2)5-6-16(19)3/h5-13H,4,14H2,1-3H3,(H,24,27)