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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]thio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]thio]-N-(5-methylisoxazol-3-yl)acetamide Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O5S/c1-13-10-16(20-28-13)19-17(24)11-29-12-18(25)22-8-6-21(7-9-22)14-2-4-15(5-3-14)23(26)27/h2-5,10H,6-9,11-12H2,1H3,(H,19,20,24)