3-(3,4-dimethylphenyl)sulfanyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[[2-(1-imidazolylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-[2-(imidazol-1-ylmethyl)benzyl]propionamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NCC2=CC=CC=C2CN3C=CN=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NCC2=CC=CC=C2CN3C=CN=C3)C

InChI

InChI=1S/C22H25N3OS/c1-17-7-8-21(13-18(17)2)27-12-9-22(26)24-14-19-5-3-4-6-20(19)15-25-11-10-23-16-25/h3-8,10-11,13,16H,9,12,14-15H2,1-2H3,(H,24,26)