N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-butanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-butanamide Openeye Name: 2-(1-benzylimidazol-2-yl)sulfanyl-N-(5-methylisoxazol-3-yl)butanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]butanamide IUPAC Name: 2-(1-benzylimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide Traditional Name: 2-[(1-benzylimidazol-2-yl)thio]-N-(5-methylisoxazol-3-yl)butyramide Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)SC2=NC=CN2CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)SC2=NC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O2S/c1-3-15(17(23)20-16-11-13(2)24-21-16)25-18-19-9-10-22(18)12-14-7-5-4-6-8-14/h4-11,15H,3,12H2,1-2H3,(H,20,21,23)