N-[4-(1-methylimidazol-2-yl)carbonylphenyl]-2-[(3-methylphenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[4-(1-methylimidazol-2-yl)carbonylphenyl]-2-[(3-methylphenyl)methylsulfanyl]ethanamide Openeye Name: N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(m-tolylmethylsulfanyl)acetamide CAS Name: N-[4-[(1-methyl-2-imidazolyl)-oxomethyl]phenyl]-2-[(3-methylphenyl)methylthio]acetamide IUPAC Name: N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide Traditional Name: 2-[(3-methylbenzyl)thio]-N-[4-(1-methylimidazole-2-carbonyl)phenyl]acetamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-15-4-3-5-16(12-15)13-27-14-19(25)23-18-8-6-17(7-9-18)20(26)21-22-10-11-24(21)2/h3-12H,13-14H2,1-2H3,(H,23,25)