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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3S/c1-14-12-17(21-26-14)20-19(25)15(2)27-13-18(24)23-10-8-22(9-11-23)16-6-4-3-5-7-16/h3-7,12,15H,8-11,13H2,1-2H3,(H,20,21,25)