2-(1-azanyl-3-methylsulfanyl-propyl)-N-(4-butan-2-ylphenyl)-1,3-oxazole-4-carboxamide

Systemtic Name: 2-(1-azanyl-3-methylsulfanyl-propyl)-N-(4-butan-2-ylphenyl)-1,3-oxazole-4-carboxamide Openeye Name: 2-(1-amino-3-methylsulfanyl-propyl)-N-(4-sec-butylphenyl)oxazole-4-carboxamide CAS Name: 2-[1-amino-3-(methylthio)propyl]-N-(4-butan-2-ylphenyl)-4-oxazolecarboxamide IUPAC Name: 2-(1-amino-3-methylsulfanylpropyl)-N-(4-butan-2-ylphenyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[1-amino-3-(methylthio)propyl]-N-(4-sec-butylphenyl)oxazole-4-carboxamide Formula: C18H25N3O2S MolecularWeight: 347.475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=COC(=N2)C(CCSC)N

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2=COC(=N2)C(CCSC)N

InChI

InChI=1S/C18H25N3O2S/c1-4-12(2)13-5-7-14(8-6-13)20-17(22)16-11-23-18(21-16)15(19)9-10-24-3/h5-8,11-12,15H,4,9-10,19H2,1-3H3,(H,20,22)