2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: N-(benzylcarbamoyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: 2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-N-[oxo-[(phenylmethyl)amino]methyl]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(benzylcarbamoyl)-2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NC(=O)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NC(=O)NCC3=CC=CC=C3)C

InChI

InChI=1S/C21H22N4O2S/c1-15-10-16(2)12-18(11-15)25-9-8-22-21(25)28-14-19(26)24-20(27)23-13-17-6-4-3-5-7-17/h3-12H,13-14H2,1-2H3,(H2,23,24,26,27)