4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(3-chloranyl-4-methyl-phenyl)benzamide

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(3-chloranyl-4-methyl-phenyl)benzamide Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(3-chloro-4-methyl-phenyl)benzamide CAS Name: 4-[(1,3-benzoxazol-2-ylthio)methyl]-N-(3-chloro-4-methylphenyl)benzamide IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(3-chloro-4-methylphenyl)benzamide Traditional Name: 4-[(1,3-benzoxazol-2-ylthio)methyl]-N-(3-chloro-4-methyl-phenyl)benzamide Formula: C22H17ClN2O2S MolecularWeight: 408.90058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4O3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C22H17ClN2O2S/c1-14-6-11-17(12-18(14)23)24-21(26)16-9-7-15(8-10-16)13-28-22-25-19-4-2-3-5-20(19)27-22/h2-12H,13H2,1H3,(H,24,26)