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

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanamide Traditional Name: 2-[[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C19H23N5O5S MolecularWeight: 433.48142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O5S/c1-13-11-17(21-29-13)20-19(26)14(2)30-12-18(25)23-9-7-22(8-10-23)15-3-5-16(6-4-15)24(27)28/h3-6,11,14H,7-10,12H2,1-2H3,(H,20,21,26)