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

Systemtic Name: 2-(1-azanyl-3-methylsulfanyl-propyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide Openeye Name: 2-(1-amino-3-methylsulfanyl-propyl)-N-(3,4-dimethoxyphenyl)oxazole-4-carboxamide CAS Name: 2-[1-amino-3-(methylthio)propyl]-N-(3,4-dimethoxyphenyl)-4-oxazolecarboxamide IUPAC Name: 2-(1-amino-3-methylsulfanylpropyl)-N-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide Traditional Name: 2-[1-amino-3-(methylthio)propyl]-N-(3,4-dimethoxyphenyl)oxazole-4-carboxamide Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=COC(=N2)C(CCSC)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=COC(=N2)C(CCSC)N)OC

InChI

InChI=1S/C16H21N3O4S/c1-21-13-5-4-10(8-14(13)22-2)18-15(20)12-9-23-16(19-12)11(17)6-7-24-3/h4-5,8-9,11H,6-7,17H2,1-3H3,(H,18,20)