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

Systemtic Name: 2-[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 2-[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 2-[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C16H18BrN3O3S MolecularWeight: 412.30142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC(C)C(=O)NC2=NOC(=C2)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC(C)C(=O)NC2=NOC(=C2)C)Br

InChI

InChI=1S/C16H18BrN3O3S/c1-9-4-5-13(12(17)6-9)18-15(21)8-24-11(3)16(22)19-14-7-10(2)23-20-14/h4-7,11H,8H2,1-3H3,(H,18,21)(H,19,20,22)