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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[3-(4-methyl-2-phenyl-piperazin-1-yl)propylamino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-[3-(4-methyl-2-phenyl-piperazin-1-yl)propylamino]-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-[3-(4-methyl-2-phenyl-1-piperazinyl)propylamino]-2-oxoethyl]thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[3-(4-methyl-2-phenylpiperazin-1-yl)propylamino]-2-oxoethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-[3-(4-methyl-2-phenyl-piperazino)propylamino]ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCCCN2CCN(CC2C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCCCN2CCN(CC2C3=CC=CC=C3)C

InChI

InChI=1S/C23H33N5O3S/c1-17-14-21(26-31-17)25-23(30)18(2)32-16-22(29)24-10-7-11-28-13-12-27(3)15-20(28)19-8-5-4-6-9-19/h4-6,8-9,14,18,20H,7,10-13,15-16H2,1-3H3,(H,24,29)(H,25,26,30)