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

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1-methylimidazol-2-yl)carbonylphenyl]propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[4-[(1-methyl-2-imidazolyl)-oxomethyl]phenyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]propionamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)C(=O)C3=NC=CN3C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)C(=O)C3=NC=CN3C)C

InChI

InChI=1S/C22H23N3O2S/c1-15-4-9-19(14-16(15)2)28-13-10-20(26)24-18-7-5-17(6-8-18)21(27)22-23-11-12-25(22)3/h4-9,11-12,14H,10,13H2,1-3H3,(H,24,26)