2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)butanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)butanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(o-tolyl)butanamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(2-methylphenyl)butanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methylphenyl)butanamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(o-tolyl)butyramide Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H18N2O2S/c1-3-16(17(21)19-13-9-5-4-8-12(13)2)23-18-20-14-10-6-7-11-15(14)22-18/h4-11,16H,3H2,1-2H3,(H,19,21)