N-(2-methyl-1,3-benzoxazol-5-yl)-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-(2-methyl-1,3-benzoxazol-5-yl)-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide CAS Name: N-(2-methyl-1,3-benzoxazol-5-yl)-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide Traditional Name: 2-(benzylthio)-N-(2-methyl-1,3-benzoxazol-5-yl)propionamide Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C(C)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C(C)SCC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O2S/c1-12(23-11-14-6-4-3-5-7-14)18(21)20-15-8-9-17-16(10-15)19-13(2)22-17/h3-10,12H,11H2,1-2H3,(H,20,21)