2-[2-[1-(3-bromanyl-4-methoxy-phenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[2-[1-(3-bromanyl-4-methoxy-phenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[2-[1-(3-bromo-4-methoxy-phenyl)ethylamino]-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[2-[1-(3-bromo-4-methoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[[2-[1-(3-bromo-4-methoxy-phenyl)ethylamino]-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C17H20BrN3O4S MolecularWeight: 442.3274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)NC(C)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)NC(C)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C17H20BrN3O4S/c1-10-6-15(21-25-10)20-17(23)9-26-8-16(22)19-11(2)12-4-5-14(24-3)13(18)7-12/h4-7,11H,8-9H2,1-3H3,(H,19,22)(H,20,21,23)