N-(4-acetamido-3-chloranyl-phenyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(4-acetamido-3-chlorophenyl)-2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]acetamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC(=C(C=C3)NC(=O)C)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC(=C(C=C3)NC(=O)C)Cl)C

InChI

InChI=1S/C21H21ClN4O2S/c1-13-4-6-17(10-14(13)2)26-9-8-23-21(26)29-12-20(28)25-16-5-7-19(18(22)11-16)24-15(3)27/h4-11H,12H2,1-3H3,(H,24,27)(H,25,28)