1-[4-[4-[(5-nitro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(5-nitro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(5-nitro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(5-nitro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(5-nitro-2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(5-nitro-2-thioxo-1,3-benzoxazol-3-yl)methyl]piperazino]phenyl]ethanone Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=S

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=S

InChI

InChI=1S/C20H20N4O4S/c1-14(25)15-2-4-16(5-3-15)22-10-8-21(9-11-22)13-23-18-12-17(24(26)27)6-7-19(18)28-20(23)29/h2-7,12H,8-11,13H2,1H3