1-[4-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoyl]piperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanoyl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[2-[(4-methoxy-3-nitrophenyl)methylthio]-1-oxoethyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[2-[(4-methoxy-3-nitro-benzyl)thio]acetyl]piperazino]-2-methyl-propan-1-one Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)CSCC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O5S/c1-13(2)18(23)20-8-6-19(7-9-20)17(22)12-27-11-14-4-5-16(26-3)15(10-14)21(24)25/h4-5,10,13H,6-9,11-12H2,1-3H3