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

Systemtic Name: 2-[1-azanyl-2-(4-hydroxyphenyl)ethyl]-N-[2-(phenylmethylsulfanyl)ethyl]-1,3-oxazole-4-carboxamide Openeye Name: 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2-benzylsulfanylethyl)oxazole-4-carboxamide CAS Name: 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[2-(phenylmethylthio)ethyl]-4-oxazolecarboxamide IUPAC Name: 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-(2-benzylsulfanylethyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[2-(benzylthio)ethyl]oxazole-4-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)C2=COC(=N2)C(CC3=CC=C(C=C3)O)N

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)C2=COC(=N2)C(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C21H23N3O3S/c22-18(12-15-6-8-17(25)9-7-15)21-24-19(13-27-21)20(26)23-10-11-28-14-16-4-2-1-3-5-16/h1-9,13,18,25H,10-12,14,22H2,(H,23,26)