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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC3=CC=CC=C3O2

InChI

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