2-(1-azanylpropyl)-N-[2-(phenylmethylsulfanyl)ethyl]-1,3-oxazole-4-carboxamide

Systemtic Name: 2-(1-azanylpropyl)-N-[2-(phenylmethylsulfanyl)ethyl]-1,3-oxazole-4-carboxamide Openeye Name: 2-(1-aminopropyl)-N-(2-benzylsulfanylethyl)oxazole-4-carboxamide CAS Name: 2-(1-aminopropyl)-N-[2-(phenylmethylthio)ethyl]-4-oxazolecarboxamide IUPAC Name: 2-(1-aminopropyl)-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-(1-aminopropyl)-N-[2-(benzylthio)ethyl]oxazole-4-carboxamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NC(=CO1)C(=O)NCCSCC2=CC=CC=C2)N

Isomeric SMILES

CCC(C1=NC(=CO1)C(=O)NCCSCC2=CC=CC=C2)N

InChI

InChI=1S/C16H21N3O2S/c1-2-13(17)16-19-14(10-21-16)15(20)18-8-9-22-11-12-6-4-3-5-7-12/h3-7,10,13H,2,8-9,11,17H2,1H3,(H,18,20)