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

Systemtic Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide Openeye Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dimethylphenyl)sulfanyl-propanamide CAS Name: N-[(4-chlorophenyl)-(1-methyl-2-imidazolyl)methyl]-3-[(3,4-dimethylphenyl)thio]propanamide IUPAC Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dimethylphenyl)sulfanylpropanamide Traditional Name: N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(3,4-dimethylphenyl)thio]propionamide Formula: C22H24ClN3OS MolecularWeight: 413.96346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3OS/c1-15-4-9-19(14-16(15)2)28-13-10-20(27)25-21(22-24-11-12-26(22)3)17-5-7-18(23)8-6-17/h4-9,11-12,14,21H,10,13H2,1-3H3,(H,25,27)