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

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[(1-methylimidazol-2-yl)-phenyl-methyl]propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[(1-methylimidazol-2-yl)-phenyl-methyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[(1-methyl-2-imidazolyl)-phenylmethyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-[(1-methylimidazol-2-yl)-phenyl-methyl]propionamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC(C2=CC=CC=C2)C3=NC=CN3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC(C2=CC=CC=C2)C3=NC=CN3C)C

InChI

InChI=1S/C22H25N3OS/c1-16-9-10-19(15-17(16)2)27-14-11-20(26)24-21(18-7-5-4-6-8-18)22-23-12-13-25(22)3/h4-10,12-13,15,21H,11,14H2,1-3H3,(H,24,26)