N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-[4-[(4-methyl-1-piperazinyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]thio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-[4-(4-methylpiperazino)sulfonylpiperazino]ethyl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C17H28N6O5S2 MolecularWeight: 460.57142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C17H28N6O5S2/c1-14-11-15(19-28-14)18-16(24)12-29-13-17(25)21-5-9-23(10-6-21)30(26,27)22-7-3-20(2)4-8-22/h11H,3-10,12-13H2,1-2H3,(H,18,19,24)